(4aS,4bS,7S,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol

Details

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Internal ID 6121632d-bb47-468e-8c15-46222b936373
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (4aS,4bS,7S,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16-,18-,19-,20+/m0/s1
InChI Key IYDAPILQPCDHTO-CZKCSJLSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 6.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4aS,4bS,7S,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol

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 96.06% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.18% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 88.31% 94.75%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 87.24% 100.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 86.92% 91.03%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.57% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.46% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.97% 92.94%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.96% 95.50%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.62% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.22% 95.89%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 82.17% 98.99%
CHEMBL206 P03372 Estrogen receptor alpha 81.84% 97.64%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.39% 97.09%
CHEMBL237 P41145 Kappa opioid receptor 81.26% 98.10%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.23% 94.45%

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.
Thuja standishii

Cross-Links

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PubChem 162934723
LOTUS LTS0128550
wikiData Q105122672