2-Hydroxynephthenol

Details

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Internal ID 298d7410-484f-4d52-9ea5-5a0b1cea3f45
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids
IUPAC Name (1S,2E,6E,10E)-14-(2-hydroxypropan-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O2/c1-15-8-6-10-16(2)12-13-18(20(4,5)22)19(21)14-17(3)11-7-9-15/h9-10,14,18-19,21-22H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+/t18?,19-/m0/s1
InChI Key BTNVLHKMJCRURY-ZPBFUFKJSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H34O2
Molecular Weight 306.50 g/mol
Exact Mass 306.255880323 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hydroxynephthenol

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.70% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.27% 91.11%
CHEMBL2581 P07339 Cathepsin D 87.35% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.42% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.21% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.40% 95.89%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.83% 90.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.59% 97.09%
CHEMBL1871 P10275 Androgen Receptor 83.05% 96.43%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.76% 89.00%

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.
There are no matching plants.

Cross-Links

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PubChem 44575323
LOTUS LTS0048523
wikiData Q104945773