p-CYMENE

Details

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Internal ID 37ba868b-4b56-4694-9cf9-0ec7cd381939
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name 1-methyl-4-propan-2-ylbenzene
SMILES (Canonical) CC1=CC=C(C=C1)C(C)C
SMILES (Isomeric) CC1=CC=C(C=C1)C(C)C
InChI InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI Key HFPZCAJZSCWRBC-UHFFFAOYSA-N
Popularity 5,141 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14
Molecular Weight 134.22 g/mol
Exact Mass 134.109550447 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.10
Atomic LogP (AlogP) 3.12
H-Bond Acceptor 0
H-Bond Donor 0
Rotatable Bonds 1

Synonyms

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4-Isopropyltoluene
99-87-6
p-Isopropyltoluene
Dolcymene
Para-cymene
p-Cymol
Paracymene
Camphogen
p-Methylcumene
1-Isopropyl-4-methylbenzene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of p-CYMENE

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.9940 99.40%
Caco-2 + 0.9388 93.88%
Blood Brain Barrier + 1.0000 100.00%
Human oral bioavailability + 0.9571 95.71%
Subcellular localzation Lysosomes 0.5463 54.63%
OATP2B1 inhibitior - 1.0000 100.00%
OATP1B1 inhibitior + 0.9579 95.79%
OATP1B3 inhibitior + 0.9619 96.19%
MATE1 inhibitior - 0.9800 98.00%
OCT2 inhibitior - 0.9500 95.00%
BSEP inhibitior - 0.8509 85.09%
P-glycoprotein inhibitior - 0.9805 98.05%
P-glycoprotein substrate - 0.9782 97.82%
CYP3A4 substrate - 0.8089 80.89%
CYP2C9 substrate - 0.7735 77.35%
CYP2D6 substrate - 0.7071 70.71%
CYP3A4 inhibition - 0.9512 95.12%
CYP2C9 inhibition - 0.9394 93.94%
CYP2C19 inhibition - 0.9687 96.87%
CYP2D6 inhibition - 0.9370 93.70%
CYP1A2 inhibition - 0.7996 79.96%
CYP2C8 inhibition - 0.9954 99.54%
CYP inhibitory promiscuity - 0.8217 82.17%
UGT catelyzed - 0.0000 0.00%
Carcinogenicity (binary) - 0.5036 50.36%
Carcinogenicity (trinary) Warning 0.5584 55.84%
Eye corrosion + 0.9906 99.06%
Eye irritation + 0.9953 99.53%
Skin irritation + 0.8874 88.74%
Skin corrosion - 0.9468 94.68%
Ames mutagenesis - 0.9100 91.00%
Human Ether-a-go-go-Related Gene inhibition - 0.5984 59.84%
Micronuclear - 0.9900 99.00%
Hepatotoxicity + 0.8125 81.25%
skin sensitisation + 0.9163 91.63%
Respiratory toxicity - 0.5778 57.78%
Reproductive toxicity + 0.7111 71.11%
Mitochondrial toxicity - 0.7255 72.55%
Nephrotoxicity + 0.5000 50.00%
Acute Oral Toxicity (c) III 0.8434 84.34%
Estrogen receptor binding - 0.9374 93.74%
Androgen receptor binding - 0.7075 70.75%
Thyroid receptor binding - 0.8577 85.77%
Glucocorticoid receptor binding - 0.9168 91.68%
Aromatase binding - 0.8296 82.96%
PPAR gamma - 0.9125 91.25%
Honey bee toxicity - 0.9351 93.51%
Biodegradation + 0.8500 85.00%
Crustacea aquatic toxicity + 0.8873 88.73%
Fish aquatic toxicity + 0.9269 92.69%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.97% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.71% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 87.12% 94.73%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.28% 89.62%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.15% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.73% 93.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.69% 93.65%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abies sachalinensis
Abrus melanospermus subsp. melanospermus
Achillea abrotanoides
Achillea ageratum
Achillea asiatica
Achillea erba-rotta
Achillea grandifolia
Achillea millefolium
Achillea ptarmica subsp. ptarmica
Achyrospermum africanum
Aconitum episcopale
Aconitum leucostomum
Aconitum maximum
Aconitum vilmorinianum
Acorus calamus
Acorus gramineus
Actinidia chinensis
Actinidia kolomikta
Actinodium cunninghamii
Adina trichotoma
Afraegle paniculata
Aframomum angustifolium
Aframomum melegueta
Agastache rugosa
Agathosma betulina
Ageratum conyzoides
Agnorhiza bolanderi
Aiouea montana
Aizoon africanum
Ajania fastigiata
Akebia quinata
Akebia trifoliata
Alangium premnifolium
Allium cepa
Allium victorialis
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Aloysia citrodora
Aloysia gratissima
Alpinia breviligulata
Alpinia carinata
Alpinia chinensis
Alpinia conchigera
Alpinia galanga
Alpinia latilabris
Alpinia oxyphylla
Alpinia zerumbet
Ambrosia artemisiifolia
Anaxagorea crassipetala
Anethum graveolens
Angelica acutiloba
Angelica archangelica
Angelica dahurica
Angelica gigas
Angelica pubescens
Angelica sinensis
Angelica tarokoensis
Annona cascarilloides
Annona reticulata
Anthemis aciphylla
Apium graveolens
Apocynum androsaemifolium
Apocynum venetum
Aquilegia ecalcarata
Araujia sericifera
Ardisia humilis
Arnebia euchroma
Arnebia guttata
Arnica nevadensis
Artemisia absinthium
Artemisia afra
Artemisia alba
Artemisia annua
Artemisia arborescens
Artemisia arbuscula
Artemisia argyi
Artemisia campestris subsp. campestris
Artemisia capillaris
Artemisia dracunculus
Artemisia gmelinii
Artemisia halophila
Artemisia jacutica
Artemisia judaica
Artemisia lagocephala
Artemisia macrocephala
Artemisia molinieri
Artemisia montana
Artemisia princeps
Artemisia rubripes
Artemisia salsoloides
Artemisia scoparia
Artemisia sericea
Artemisia szowitziana
Artemisia thuscula
Artemisia vulgaris
Artemisia xerophytica
Asarum asperum
Asarum canadense
Asarum fauriei
Asarum fauriei var. takaoi
Asarum heterotropoides
Asarum sieboldii
Asarum yakusimense
Asterolasia squamuligera
Astragalus glycyphyllos
Athamanta macedonica
Athrixia elata
Aucklandia costus
Aucoumea klaineana
Austrobaileya scandens
Azadirachta indica
Baccharis dracunculifolia
Baeckea frutescens
Bellis perennis
Beyeria sulcata var. brevipes
Bidens andicola
Blepharis scindica
Blepharocalyx salicifolius
Blumea axillaris
Bombax ceiba
Boronia koniambiensis
Boronia latipinna
Boswellia sacra
Boswellia serrata
Bothriochloa bladhii
Bunium paucifolium
Bupleurum fruticescens
Bupleurum fruticosum
Bupleurum gibraltaricum
Bursaria spinosa
Caesulia axillaris
Camellia saluenensis
Canarium luzonicum
Canarium strictum
Canella winterana
Cannabis sativa
Capsicum annuum
Carum carvi
Casimiroa greggii
Cassinia subtropica
Catha edulis
Catharanthus roseus
Ceanothus velutinus
Centaurea benedicta
Centaurea cheiranthifolia
Centaurea solstitialis
Centella asiatica
Centratherum punctatum
Centromadia fitchii
Chaerophyllum macrospermum
Chamaecyparis lawsoniana
Chamaecyparis obtusa
Chamaecyparis pisifera
Chiliadenus lopadusanus
Chloranthus tianmushanensis
Chlorophytum borivilianum
Chromolaena odorata
Chromolaena pulchella
Chrysanthemum indicum
Chrysanthemum morifolium
Chrysopogon zizanioides
Cicuta virosa
Ciliosemina pedunculata
Cinnamomum aromaticum
Cinnamomum burmanni
Cinnamomum camphora
Cinnamomum chekiangense
Cinnamomum impressinervium
Cinnamomum tamala
Cinnamomum verum
Cistus creticus
Cistus ladanifer
Citrus × aurantium
Citrus aurantiifolia
Citrus deliciosa
Citrus limon
Citrus maxima
Citrus medica
Citrus trifoliata
Cladanthus arabicus
Cleistopholis patens
Cleonia lusitanica
Clinopodium brownei
Clinopodium gilliesii
Clinopodium grandiflorum
Clinopodium menthifolium subsp. menthifolium
Clinopodium nepeta subsp. spruneri
Clinopodium serpyllifolium subsp. fruticosum
Clinopodium suaveolens
Coespeletia timotensis
Colchicum arenarium
Commiphora africana
Commiphora gurreh
Conioselinum anthriscoides
Conobea scoparioides
Coptis chinensis
Coptis deltoidea
Coptis japonica
Coptis teeta
Coreopsis grandiflora
Coriandrum sativum
Corymbia citriodora
Corymbia maculata
Cotinus coggygria
Craibia grandiflora
Cratoxylum formosum subsp. pruniflorum
Crithmum maritimum
Croton adenocalyx
Croton eluteria
Croton glandulosus
Croton lachnostachyus
Croton stelluliferus
Cryptocarya agathophylla
Cryptomeria japonica
Cryptotaenia japonica
Cuminum cyminum
Cupressus nootkatensis
Cupressus sempervirens
Curcuma longa
Curcuma pierreana
Cyclotrichium niveum
Cymbopogon flexuosus
Cyperus rotundus
Daphnandra johnsonii
Daucus carota
Dendrobium chrysanthum
Dendrosenecio kilimanjari
Dianella revoluta
Diospyros ferrea
Diplotaenia cachrydifolia
Dipterocarpus alatus
Dipterocarpus dyeri
Dipteronia dyeriana
Dodonaea polyandra
Drosera peltata
Ducrosia ismaelis
Dysphania ambrosioides
Dysphania multifida
Echinophora chrysantha
Echinophora lamondiana
Echinophora tenuifolia
Echinophora tenuifolia subsp. sibthorpiana
Echinops amplexicaulis
Elettaria cardamomum
Elsholtzia blanda
Elsholtzia bodinieri
Elsholtzia ciliata
Elsholtzia fruticosa
Elsholtzia pilosa
Elsholtzia splendens
Elwendia persica
Ephedra sinica
Epimedium davidii
Erigeron canadensis
Erigeron philadelphicus
Erysimum odoratum
Erythrina burttii
Eschweilera coriacea
Etlingera elatior
Eucalyptus angulosa
Eucalyptus apodophylla
Eucalyptus brassiana
Eucalyptus bridgesiana
Eucalyptus camaldulensis
Eucalyptus cladocalyx
Eucalyptus cloeziana
Eucalyptus crenulata
Eucalyptus cunninghamii
Eucalyptus dealbata
Eucalyptus deglupta
Eucalyptus delegatensis
Eucalyptus globulus
Eucalyptus jensenii
Eucalyptus leucoxylon
Eucalyptus mitchelliana
Eucalyptus nitens
Eucalyptus nova-anglica
Eucalyptus pulverulenta
Eucalyptus radiata
Eupatorium cannabinum
Eupatorium capillifolium
Eupatorium fortunei
Ferula fukanensis
Ferula jaeschkeana
Ferulago contracta
Ferulago nodosa
Ferulago thirkeana
Ficus formosana
Foeniculum vulgare
Forsythia suspensa
Fragaria vesca
Frullania brittoniae
Frullania tamarisci
Gamblea innovans
Garcinia macrophylla
Garcinia oligantha
Garcinia scortechinii
Gardenia fosbergii
Gardenia tubifera
Geum heterocarpum
Glehnia littoralis
Globba variabilis
Glycyrrhiza glabra
Gossypium herbaceum
Grindelia hirsutula
Gymnanthemum amygdalinum
Gymnosporia serrata
Gyrothyra underwoodiana
Hansenia forbesii
Hansenia weberbaueriana
Hedychium coronarium
Hedyosmum mexicanum
Helichrysum ambiguum
Helichrysum bracteiferum
Helichrysum odoratissimum
Heracleum dissectum
Heracleum persicum
Hesperozygis rhododon
Heterotheca inuloides
Hippeastrum aulicum
Houttuynia cordata
Humulus lupulus
Hypericum hyssopifolium
Hypericum perforatum
Hyptis goyazensis
Hyptis suaveolens
Hyssopus officinalis subsp. aristatus
Hyssopus seravschanicus
Ilex affinis
Ilex amara
Illicium difengpi
Illicium verum
Inula helenium
Inula racemosa
Ipomoea cairica
Iris spuria
Isodon japonicus
Isodon lophanthoides
Isodon melissoides
Isodon rubescens
Isodon umbrosus
Jacobaea erucifolia subsp. argunensis
Juniperus communis
Juniperus drupacea
Juniperus durangensis
Juniperus monticola
Juniperus occidentalis
Juniperus oxycedrus
Kaempferia pulchra
Knightia excelsa
Kokoona ochracea
Kopsia grandifolia
Kunzea salina
Kunzea sinclairii
Laggera alata
Laggera crispata
Lagoecia cuminoides
Lamprolobium fruticosum
Lantana camara
Lantana ukambensis
Lanxangia tsaoko
Larix gmelinii var. gmelinii
Larix kaempferi
Larix sibirica
Lasianthus fordii
Lasiosiphon lampranthus
Latua pubiflora
Laurus nobilis
Lavandula angustifolia
Lavandula angustifolia subsp. angustifolia
Lavandula latifolia
Lavandula stoechas
Lavandula stoechas subsp. luisieri
Ledebouria socialis
Leionema gracile
Leonotis leonurus
Leonurus glaucescens
Lepechinia chamaedryoides
Lepidium draba
Leptospermum scoparium
Levisticum officinale
Libocedrus bidwillii
Ligularia hodgsonii
Ligusticum officinale
Ligusticum porteri
Ligusticum striatum
Limnophila repens
Lindera aggregata
Lippia multiflora
Lippia origanoides
Lippia rehmannii
Liquidambar orientalis
Liquidambar styraciflua
Litchi chinensis
Lithospermum erythrorhizon
Litogyne gariepina
Litsea cubeba
Litsea glaucescens
Lycopus europaeus
Lysimachia clethroides
Machilus obovatifolia
Magnolia biondii
Magnolia denudata
Magnolia kobus
Magnolia liliiflora
Magnolia obovata
Magnolia officinalis
Magnolia salicifolia
Magnolia sprengeri
Malus domestica
Mangifera indica
Maytenus loeseneri
Melaleuca alternifolia
Melaleuca dissitiflora
Melaleuca linariifolia
Melaleuca squarrosa
Mentha × piperita
Mentha × verticillata
Mentha aquatica
Mentha canadensis
Mentha pulegium
Mentha suaveolens
Micromeria biflora
Micromeria maderensis
Micromeria myrtifolia
Micromeria pineolens
Mikania cordifolia
Mikania grazielae
Minthostachys andina
Minthostachys glabrescens
Molopospermum peloponnesiacum
Monarda citriodora
Monarda fistulosa
Moringa oleifera
Mosla cavaleriei
Mosla chinensis
Mosla dianthera
Murraya kwangsiensis
Myrcianthes fragrans
Myrciaria floribunda
Myrtus communis
Narcissus tazetta
Nepeta annua
Nepeta crispa
Nepeta nepetella
Nepeta nuda
Nepeta racemosa
Nepeta tenuifolia
Nepeta trachonitica
Nigella sativa
Ocimum americanum
Ocimum basilicum
Ocimum gratissimum
Ocimum gratissimum subsp. gratissimum
Odixia angusta
Odontites vulgaris
Oenanthe aquatica
Ongokea gore
Ophiorrhiza blumeana
Ophryosporus charua
Origanum × adanense
Origanum acutidens
Origanum cordifolium
Origanum dictamnus
Origanum floribundum
Origanum majorana
Origanum majoricum
Origanum minutiflorum
Origanum onites
Origanum sipyleum
Origanum syriacum
Origanum vulgare
Origanum vulgare subsp. gracile
Origanum vulgare subsp. virens
Osbornia octodonta
Osmorhiza aristata
Parthenium incanum
Pelargonium citronellum
Pelargonium endlicherianum
Pelargonium graveolens
Pelargonium quercifolium
Pelargonium vitifolium
Peltodon longipes
Perilla frutescens
Persea barbujana
Persicaria bistorta
Peucedanum palustre
Peucedanum zenkeri
Phalaenopsis aphrodite
Phaseolus vulgaris
Phyla nodiflora
Physalis solanaceus
Picea abies
Picea glehnii
Picea koraiensis
Picea obovata
Picea rubens
Pimenta dioica
Pimenta racemosa
Pimpinella anisum
Pimpinella serbica
Pinus aristata
Pinus cembroides
Pinus flexilis
Pinus merkusii
Pinus pumila
Pinus sibirica
Pinus sylvestris
Piper auritum
Piper betle
Piper callosum
Piper cubeba
Piper gibbilimbum
Piper guineense
Piper marginatum
Piper nigrum
Piper obliquum
Piper regnellii
Piper sylvestre
Piper vitaceum
Pistacia vera
Pittocaulon bombycophole
Pittosporum balfourii
Plagiochila rutilans
Platycladus orientalis
Plectranthus aegyptiacus
Plectranthus amboinicus
Plectranthus mollis
Pluchea dioscoridis
Podocarpus salignus
Podophyllum hexandrum
Poliomintha incana
Polyachyrus sphaerocephalus
Polygala senega
Porophyllum ruderale
Potentilla indica
Prangos uechtritzii
Prangos uloptera
Prioria pinnata
Prosopis glandulosa
Prosopis ruscifolia
Prostanthera ovalifolia
Protium heptaphyllum
Prunus armeniaca
Prunus laurocerasus
Pseudoconyza viscosa
Psiadia altissima
Psidium salutare
Psidium salutare var. pohlianum
Psychotria bahiensis
Pteris plumieri
Pteronia incana
Ptychopetalum olacoides
Pycnanthemum floridanum
Pyrola rotundifolia
Quercus cerris
Quercus ilex
Quercus petraea subsp. petraea
Rhanterium epapposum
Rhodiola rosea
Rhododendron dauricum
Rhododendron groenlandicum
Rhododendron tomentosum
Rosmarinus officinalis
Rubus pungens
Rubus trifidus
Rudbeckia hirta
Ruta angustifolia
Salacia madagascariensis
Salvadora persica
Salvia absconditiflora
Salvia aurea
Salvia barrelieri
Salvia caespitosa
Salvia cuspidata subsp. gilliesii
Salvia dorisiana
Salvia fruticosa
Salvia hydrangea
Salvia munzii
Salvia officinalis
Salvia sclarea
Sanguisorba minor
Santolina chamaecyparissus
Sassafras albidum
Satureja bachtiarica
Satureja boissieri
Satureja cuneifolia
Satureja hortensis
Satureja montana
Satureja parnassica
Satureja spicigera
Satureja thymbra
Satureja wiedemanniana
Saussurea lyrata
Saxifraga stolonifera
Scalesia aspera
Schinus molle
Schisandra chinensis
Schistostephium rotundifolium
Schraderanthus viscosa
Scutellaria lateriflora
Senecio squalidus
Senna alexandrina
Senna sophera
Sequoia sempervirens
Sequoiadendron giganteum
Seriphidium cinum
Seriphidium herba-alba
Sesbania punicea
Sideritis amasiaca
Sideritis chamaedryfolia
Sideritis dichotoma
Sideritis hispida
Sideritis lanata
Sideritis lyciae
Sideritis perfoliata
Sideritis perfoliata subsp. athoa
Sideritis romana
Sideritis syriaca
Sideritis tragoriganum
Simira eliezeriana
Siphocampylus verticillatus
Sium latifolium
Smallanthus fruticosus
Solanecio biafrae
Solanum acaule
Solanum stramoniifolium
Solanum stuckertii
Solidago canadensis
Solidago gigantea
Solidago odora
Sophora flavescens
Sorbus pallescens
Stachys aegyptiaca
Steganotaenia araliacea
Stenostomum lucidum
Stevia alpina
Stevia rebaudiana
Strophanthus kombe
Styrax
Swertia delavayi
Syzygium aromaticum
Syzygium cumini
Syzygium nervosum
Syzygium samarangense
Tagetes minuta
Tamarix gallica
Tambourissa leptophylla
Tanacetum annuum
Tanacetum millefolium
Tanacetum parthenium
Tanacetum vulgare
Taxodium huegelii
Tessaria fastigiata
Teucrium kotschyanum
Teucrium polium
Teucrium scorodonia
Thapsia garganica
Thapsia villosa
Thuja occidentalis
Thujopsis dolabrata
Thymbra capitata
Thymbra spicata
Thymus × citriodorus
Thymus baeticus
Thymus camphoratus
Thymus cariensis
Thymus cilicicus
Thymus eigii
Thymus funkii
Thymus kotschyanus
Thymus longicaulis
Thymus membranaceus
Thymus nummularius
Thymus pastoralis
Thymus pectinatus
Thymus piperella
Thymus pulegioides
Thymus quinquecostatus
Thymus quinquecostatus var. przewalskii
Thymus revolutus
Thymus riatarum
Thymus saturejoides
Thymus sibthorpii
Thymus thracicus
Thymus villosus
Thymus vulgaris
Thymus willkommii
Thymus zygioides
Thymus zygis
Toddalia asiatica
Trachyspermum ammi
Trachyspermum anethifolium
Trichostema dichotomum
Umbellularia californica
Urolepis hecatantha
Uvaria chamae
Vaccinium angustifolium
Vaccinium corymbosum
Vaccinium vitis-idaea
Valeriana jatamansi
Valeriana officinalis
Varronia curassavica
Vepris boiviniana
Vepris hiernii
Vepris pilosa
Veratrum shanense
Viburnum chingii
Viola hondoensis
Virola surinamensis
Vismia jefensis
Vitex agnus-castus
Vitex madiensis
Vitex negundo
Vitex trifolia
Vitis rotundifolia
Vitis vinifera
Wurfbainia compacta
Wurfbainia neoaurantiaca
Wurfbainia villosa
Xenophyllum poposum
Xylopia aethiopica
Xylopia aromatica
Xylopia sericea
Zanthoxylum armatum
Zanthoxylum bungeanum
Zanthoxylum chalybeum
Zanthoxylum melanostictum
Zanthoxylum schinifolium
Zanthoxylum simulans
Zataria multiflora
Zingiber mioga
Zingiber officinale
Zingiber zerumbet
Zinnia elegans

Cross-Links

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PubChem 7463
NPASS NPC88566
LOTUS LTS0181568
wikiData Q284072