Camphor

Details

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Internal ID 51e22722-faa8-4c20-ba7b-7af04f922089
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILES (Canonical) CC1(C2CCC1(C(=O)C2)C)C
SMILES (Isomeric) CC1(C2CCC1(C(=O)C2)C)C
InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChI Key DSSYKIVIOFKYAU-UHFFFAOYSA-N
Popularity 13,391 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 2.20
Atomic LogP (AlogP) 2.40
H-Bond Acceptor 1
H-Bond Donor 0
Rotatable Bonds 0

Synonyms

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DL-Camphor
76-22-2
2-Camphanone
2-Bornanone
(+/-)-Camphor
Bornan-2-one
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
(+)-Camphor
21368-68-3
Alphanon
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Camphor

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.9950 99.50%
Caco-2 + 0.8328 83.28%
Blood Brain Barrier + 0.9250 92.50%
Human oral bioavailability + 0.8714 87.14%
Subcellular localzation Mitochondria 0.5569 55.69%
OATP2B1 inhibitior - 0.8507 85.07%
OATP1B1 inhibitior + 0.9490 94.90%
OATP1B3 inhibitior + 0.9648 96.48%
MATE1 inhibitior - 0.9400 94.00%
OCT2 inhibitior - 0.9500 95.00%
BSEP inhibitior - 0.9068 90.68%
P-glycoprotein inhibitior - 0.9832 98.32%
P-glycoprotein substrate - 0.9481 94.81%
CYP3A4 substrate - 0.5505 55.05%
CYP2C9 substrate - 0.7800 78.00%
CYP2D6 substrate - 0.8045 80.45%
CYP3A4 inhibition - 0.9583 95.83%
CYP2C9 inhibition - 0.9088 90.88%
CYP2C19 inhibition - 0.9313 93.13%
CYP2D6 inhibition - 0.9696 96.96%
CYP1A2 inhibition - 0.8876 88.76%
CYP2C8 inhibition - 0.9806 98.06%
CYP inhibitory promiscuity - 0.9780 97.80%
UGT catelyzed - 0.0000 0.00%
Carcinogenicity (binary) - 0.9000 90.00%
Carcinogenicity (trinary) Non-required 0.6307 63.07%
Eye corrosion - 0.8060 80.60%
Eye irritation + 0.9680 96.80%
Skin irritation + 0.8624 86.24%
Skin corrosion - 0.9441 94.41%
Ames mutagenesis - 0.9100 91.00%
Human Ether-a-go-go-Related Gene inhibition - 0.7187 71.87%
Micronuclear - 0.9800 98.00%
Hepatotoxicity + 0.6613 66.13%
skin sensitisation + 0.9175 91.75%
Respiratory toxicity - 0.5889 58.89%
Reproductive toxicity + 0.6889 68.89%
Mitochondrial toxicity - 0.9125 91.25%
Nephrotoxicity + 0.7042 70.42%
Acute Oral Toxicity (c) III 0.5502 55.02%
Estrogen receptor binding - 0.8938 89.38%
Androgen receptor binding - 0.6528 65.28%
Thyroid receptor binding - 0.8917 89.17%
Glucocorticoid receptor binding - 0.9215 92.15%
Aromatase binding - 0.8138 81.38%
PPAR gamma - 0.8845 88.45%
Honey bee toxicity - 0.9232 92.32%
Biodegradation + 0.8500 85.00%
Crustacea aquatic toxicity + 0.7000 70.00%
Fish aquatic toxicity + 0.9340 93.40%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1293224 P10636 Microtubule-associated protein tau 3981.1 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1937 Q92769 Histone deacetylase 2 91.32% 94.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.41% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.71% 91.11%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.58% 93.04%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.87% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.51% 96.09%
CHEMBL2581 P07339 Cathepsin D 83.83% 98.95%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.57% 82.69%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.63% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.62% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.61% 100.00%

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 sibirica
Achillea abrotanoides
Achillea asiatica
Achillea clavennae
Achillea crithmifolia
Achillea cuneatiloba
Achillea erba-rotta
Achillea goniocephala
Achillea grandifolia
Achillea millefolium
Achillea phrygia
Achillea pseudopectinata
Achillea ptarmica subsp. ptarmica
Achillea santolinoides
Achillea vermicularis
Acorus calamus
Acorus calamus var. angustatus
Acorus gramineus
Actinodium cunninghamii
Ageratum conyzoides
Ajania achilleoides
Ajania fastigiata
Akebia quinata
Akebia trifoliata
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Aloysia citrodora
Alpinia breviligulata
Alpinia chinensis
Alpinia galanga
Alpinia latilabris
Alpinia zerumbet
Ambrosia artemisiifolia
Ambrosia microcephala
Aristolochia coryi
Aristolochia debilis
Arnebia euchroma
Arnebia guttata
Artemisia absinthium
Artemisia afra
Artemisia alba
Artemisia annua
Artemisia arborescens
Artemisia arbuscula
Artemisia argyi
Artemisia austriaca
Artemisia campestris subsp. campestris
Artemisia capillaris
Artemisia carvifolia
Artemisia dolosa
Artemisia douglasiana
Artemisia dracunculus
Artemisia gmelinii
Artemisia judaica
Artemisia lagopus
Artemisia ludoviciana
Artemisia macrocephala
Artemisia monosperma
Artemisia montana
Artemisia princeps
Artemisia rutifolia
Artemisia salsoloides
Artemisia scoparia
Artemisia sericea
Artemisia splendens
Artemisia thuscula
Artemisia tridentata
Artemisia vulgaris
Artemisia xerophytica
Asarum asperum
Asarum fudsinoi
Asarum heterotropoides
Asarum megacalyx
Asarum sieboldii
Atherosperma moschatum
Aucklandia costus
Aucoumea klaineana
Bellis perennis
Betula alnoides
Boronia latipinna
Bothriochloa bladhii
Brocchia cinerea
Brucea javanica
Cannabis sativa
Cantinoa mutabilis
Carapichea ipecacuanha
Chaerophyllum macrospermum
Chamaecyparis lawsoniana
Chiliadenus lopadusanus
Chromolaena odorata
Chrysanthemum indicum
Cinnamomum aromaticum
Cinnamomum camphora
Cinnamomum oliveri
Cinnamomum sieboldii
Cinnamomum verum
Cistus creticus
Citrus × aurantium
Citrus deliciosa
Citrus medica
Cleonia lusitanica
Clinopodium nepeta subsp. spruneri
Coriandrum sativum
Croton eluteria
Croton glandulosus
Croton nepetifolius
Croton sonderianus
Croton triangularis
Cryptocarya agathophylla
Cryptomeria japonica
Curcuma aeruginosa
Curcuma aromatica
Curcuma kwangsiensis
Curcuma longa
Curcuma phaeocaulis
Curcuma picta
Curcuma pierreana
Curcuma trichosantha
Curcuma wenyujin
Curcuma zedoaria
Cymbopogon citratus
Cymbopogon flexuosus
Diplotaenia cachrydifolia
Echinophora tenuifolia
Elettaria cardamomum
Elsholtzia ciliata
Elwendia persica
Enydra fluctuans
Erigeron philadelphicus
Eriobotrya japonica
Eucalyptus jensenii
Eupatorium capillifolium
Ferula ovina
Ferulago nodosa
Foeniculum vulgare
Forsythia suspensa
Forsythia viridissima
Glebionis coronaria
Hansenia forbesii
Hansenia weberbaueriana
Hedychium coronarium
Helichrysum ambiguum
Hippia frutescens
Houttuynia cordata
Hyptis emoryi
Hyptis suaveolens
Hyssopus officinalis
Illicium difengpi
Inula helenium
Juniperus communis
Juniperus durangensis
Juniperus gracilior
Juniperus monticola
Kunzea salina
Lantana camara
Lantana ukambensis
Larix sibirica
Laurus nobilis
Lavandula angustifolia
Lavandula angustifolia subsp. angustifolia
Lavandula latifolia
Lavandula stoechas
Lavandula stoechas subsp. luisieri
Leonurus japonicus
Lepechinia caulescens
Lepechinia floribunda
Lindera aggregata
Lippia alba
Lippia javanica
Lippia multiflora
Lithospermum erythrorhizon
Litsea cubeba
Magnolia biondii
Magnolia denudata
Magnolia kobus
Magnolia obovata
Magnolia officinalis
Magnolia salicifolia
Magnolia sprengeri
Malva sylvestris
Micromeria biflora
Micromeria juliana
Micromeria myrtifolia
Minthostachys andina
Monardella hypoleuca
Mosla chinensis
Myristica fragrans
Myrtus communis
Nemuaron vieillardii
Nepeta cataria
Nepeta racemosa
Nepeta teydea
Ocimum americanum
Ocimum basilicum
Ocimum kilimandscharicum
Ocimum tenuiflorum
Origanum cordifolium
Origanum majorana
Origanum sipyleum
Origanum syriacum
Osmitopsis asteriscoides
Peperomia rotundifolia
Phyllanthus emblica
Phyllolobium chinense
Picea abies
Picea glauca
Picea sitchensis
Pimenta racemosa
Piper aduncum
Piper auritum
Piper cubeba
Piper guineense
Pistacia vera
Platycladus orientalis
Polygala senega
Ptychopetalum olacoides
Punica granatum
Rosmarinus officinalis
Salvia absconditiflora
Salvia aurea
Salvia aytachii
Salvia caespitosa
Salvia clevelandii
Salvia cuspidata subsp. gilliesii
Salvia fruticosa
Salvia garedjii
Salvia hydrangea
Salvia leucophylla
Salvia munzii
Salvia officinalis
Salvia pisidica
Salvia pomifera
Salvia viscida
Salvia willeana
Santolina chamaecyparissus
Santolina insularis
Sassafras albidum
Sassafras randaiense
Satureja cuneifolia
Satureja wiedemanniana
Scandix australis
Scleromitrion diffusum
Scutellaria barbata
Senegalia catechu
Senna alexandrina
Seriphidium baldshuanicum
Seriphidium deserti
Seriphidium diffusum
Seriphidium fragrans
Seriphidium herba-alba
Seriphidium leucodes
Seriphidium leucotrichum
Sideritis dichotoma
Sideritis hirsuta
Sideritis perfoliata subsp. athoa
Sideritis tragoriganum
Solanum tuberosum
Strobilanthes auriculatus
Tanacetum annuum
Tanacetum millefolium
Tanacetum parthenium
Tanacetum polycephalum
Tanacetum vulgare
Tetradenia riparia
Teucrium polium subsp. polium
Teucrium salviastrum
Thuja occidentalis
Thymus × citriodorus
Thymus broussonetii
Thymus camphoratus
Thymus cariensis
Thymus cilicicus
Thymus eigii
Thymus funkii
Thymus longicaulis
Thymus membranaceus
Thymus nummularius
Thymus quinquecostatus
Thymus riatarum
Thymus saturejoides
Thymus sibthorpii
Thymus thracicus
Thymus villosus
Thymus vulgaris
Thymus willkommii
Thymus zygioides
Thymus zygis
Trichostema lanceolatum
Trigonella foenum-graecum
Uvariopsis tripetala
Vaccinium vitis-idaea
Varronia curassavica
Verbena officinalis
Vitex agnus-castus
Vitex negundo
Wurfbainia compacta
Wurfbainia longiligularis
Wurfbainia villosa
Wurfbainia villosa var. xanthioides
Xylopia aethiopica
Xylopia aromatica
Xylopia sericea
Zanthoxylum armatum
Zanthoxylum gilletii
Zea mays
Zingiber mioga
Zingiber officinale
Zingiber zerumbet

Cross-Links

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PubChem 2537
NPASS NPC173996
ChEMBL CHEMBL15768
LOTUS LTS0091905
wikiData Q181559