Citral

Details

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Internal ID 38e710d3-1af7-47d1-9edb-e98fd95384d5
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name (2E)-3,7-dimethylocta-2,6-dienal
SMILES (Canonical) CC(=CCCC(=CC=O)C)C
SMILES (Isomeric) CC(=CCC/C(=C/C=O)/C)C
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChI Key WTEVQBCEXWBHNA-JXMROGBWSA-N
Popularity 4,757 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16O
Molecular Weight 152.23 g/mol
Exact Mass 152.120115130 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 3.00

Synonyms

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GERANIAL
5392-40-5
trans-Citral
(2E)-3,7-dimethylocta-2,6-dienal
Citral a
141-27-5
3,7-dimethylocta-2,6-dienal
geranialdehyde
3,7-Dimethyl-2,6-octadienal
(E)-Citral
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Citral

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 39810.7 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.42% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 86.22% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.91% 92.08%
CHEMBL2581 P07339 Cathepsin D 84.28% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.61% 99.17%

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.
Acer triflorum
Achillea millefolium
Aconitum leucostomum
Aconitum maximum
Aconitum vilmorinianum
Actaea cimicifuga
Actaea dahurica
Actaea simplex
Actinidia kolomikta
Aframomum angustifolium
Agnorhiza bolanderi
Aiouea montana
Allium sativum
Aloysia citrodora
Alstonia scholaris
Anaxagorea crassipetala
Aniba megaphylla
Aquilegia ecalcarata
Aralia fargesii
Araujia sericifera
Arctium lappa
Arnica nevadensis
Artemisia argyi
Artemisia capillaris
Artemisia gmelinii
Artemisia montana
Artemisia princeps
Artemisia szowitziana
Asterolasia squamuligera
Baccharis dracunculifolia
Backhousia citriodora
Bellis perennis
Berberis integerrima
Beyeria sulcata var. brevipes
Bidens andicola
Blumea axillaris
Boesenbergia rotunda
Boronia koniambiensis
Bunium paucifolium
Bursaria spinosa
Calocedrus decurrens
Camellia sinensis
Canarium strictum
Canella winterana
Capsella bursa-pastoris
Carum carvi
Catharanthus roseus
Ceanothus velutinus
Centaurea benedicta
Chloranthus tianmushanensis
Chlorophytum borivilianum
Chromolaena odorata
Chromolaena pulchella
Cinnamomum aromaticum
Cinnamomum chekiangense
Cinnamomum sieboldii
Cinnamomum verum
Cistus creticus
Citrullus lanatus
Citrus × aurantium
Citrus deliciosa
Citrus limon
Citrus maxima
Citrus medica
Citrus trifoliata
Coreopsis grandiflora
Coriandrum sativum
Craibia grandiflora
Crataegus pinnatifida
Curcuma kwangsiensis
Curcuma longa
Curcuma phaeocaulis
Curcuma wenyujin
Cymbopogon citratus
Cymbopogon flexuosus
Cymbopogon khasianus
Cymbopogon nardus
Cymbopogon winterianus
Dalea purpurea
Daphne odora
Daucus carota
Dendrosenecio kilimanjari
Digitalis sceptrum
Diplotaenia cachrydifolia
Dipterocarpus alatus
Dipterocarpus dyeri
Dipteronia dyeriana
Dodonaea polyandra
Dracocephalum kotschyi
Dracocephalum moldavica
Drimia sanguinea
Drosera peltata
Echinops amplexicaulis
Elettaria cardamomum
Elionurus muticus
Elsholtzia blanda
Elsholtzia ciliata
Elsholtzia fruticosa
Eucalyptus pulverulenta
Eupatorium fortunei
Ficus carica
Ficus formosana
Forsythia suspensa
Fragaria vesca
Gaillardia coahuilensis
Gamblea innovans
Garcinia macrophylla
Garcinia scortechinii
Gardenia fosbergii
Gardenia tubifera
Grindelia hirsutula
Gymnanthemum amygdalinum
Gymnosporia serrata
Helichrysum odoratissimum
Herbertus sakuraii
Homalomena occulta
Houttuynia cordata
Hyptis emoryi
Ilex affinis
Ipomoea cairica
Isodon lophanthoides
Isodon umbrosus
Kaempferia pulchra
Kopsia grandifolia
Lagerstroemia speciosa
Lantana camara
Lanxangia tsaoko
Lasianthus fordii
Ledebouria socialis
Ligularia hodgsonii
Lippia alba
Lippia multiflora
Litchi chinensis
Litogyne gariepina
Litsea cubeba
Lycopus europaeus
Magnolia liliiflora
Magnolia salicifolia
Malus pumila
Mangifera indica
Maytenus loeseneri
Melissa officinalis
Micromeria biflora
Micromeria maderensis
Monarda fistulosa
Moringa oleifera
Mosla chinensis
Murraya kwangsiensis
Myrtus communis
Nauclea latifolia
Nepeta cataria
Nepeta nepetella
Ocimum gratissimum
Odixia angusta
Odontites vulgaris
Ongokea gore
Ophiorrhiza blumeana
Ophrys × arachnitiformis
Orthopappus angustifolius
Paeonia lactiflora
Pectis brevipedunculata
Pectis elongata
Pelargonium citronellum
Pelargonium vitifolium
Perilla frutescens
Persea barbujana
Peucedanum palustre
Phalaenopsis aphrodite
Physalis solanaceus
Pimenta racemosa
Pinalia pandurata
Piper cubeba
Plectranthus mollis
Pluchea dioscoridis
Plumeria rubra
Podocarpus salignus
Polygala senega
Prosopis glandulosa
Prosopis ruscifolia
Prunus armeniaca
Prunus cerasoides
Prunus laurocerasus
Psidium guajava
Psychotria bahiensis
Pteris plumieri
Pyrola rotundifolia
Quercus cerris
Rhodiola crenulata
Rosa gallica
Salvia fruticosa
Salvia officinalis
Salvia sclarea
Schisandra chinensis
Schistostephium rotundifolium
Scurrula parasitica
Senecio squalidus
Seriphidium cinum
Sesbania punicea
Sideritis syriaca
Simira eliezeriana
Siphocampylus verticillatus
Sorbus pallescens
Stenostomum lucidum
Stevia alpina
Syzygium aromaticum
Taxodium huegelii
Teucrium polium subsp. polium
Thapsia villosa
Thymbra capitata
Thymus × citriodorus
Thymus camphoratus
Thymus funkii
Thymus longicaulis
Thymus sibthorpii
Thymus sipyleus
Thymus thracicus
Thymus willkommii
Thymus zygis
Trifolium subterraneum
Vachellia farnesiana var. farnesiana
Vepris pilosa
Veratrum shanense
Viburnum chingii
Vitex madiensis
Xenophyllum poposum
Xylopia emarginata
Zaluzianskya capensis
Zanthoxylum bungeanum
Zanthoxylum chalybeum
Zanthoxylum melanostictum
Zea mays
Zingiber officinale

Cross-Links

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PubChem 638011
NPASS NPC18205
ChEMBL CHEMBL1080997
LOTUS LTS0246122
wikiData Q410888