7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-ol

Details

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Internal ID 7d95ff03-8998-4687-befc-0337066c4999
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H30O/c1-5-17(2)12-9-15-14(13-17)7-8-16-18(15,3)10-6-11-19(16,4)20/h5,7,15-16,20H,1,6,8-13H2,2-4H3
InChI Key PRMYVLHDWLBDQX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H30O
Molecular Weight 274.40 g/mol
Exact Mass 274.229665576 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.43% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.81% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 91.41% 94.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 89.74% 82.69%
CHEMBL221 P23219 Cyclooxygenase-1 89.19% 90.17%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.25% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.06% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.52% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.75% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.92% 97.09%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 82.90% 98.99%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.29% 93.03%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.86% 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.
Halocarpus bidwillii

Cross-Links

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PubChem 162993703
LOTUS LTS0080408
wikiData Q105213818