(4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-[(2S)-oxiran-2-yl]-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

Details

• Internal ID: 5c30df14-cf99-4400-9101-c2b99504896f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-[(2S)-oxiran-2-yl]-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
• InChI: InChI=1S/C20H30O2/c1-18(2)7-5-8-20(4)14-6-9-19(3,17-12-22-17)11-13(14)15(21)10-16(18)20/h11,14,16-17H,5-10,12H2,1-4H3/t14-,16-,17-,19-,20+/m1/s1
• InChI Key: AZVDGFALOQJRGB-JECYIRHJSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.50 g/mol
• Exact Mass: 302.224580195 g/mol
• Topological Polar Surface Area (TPSA): 29.60 Ų
• XlogP: 4.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	97.04%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.43%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	93.02%	82.69%
CHEMBL2581	P07339	Cathepsin D	90.16%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.41%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.20%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.96%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.95%	95.89%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.11%	93.04%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.84%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.18%	96.09%

Plants that contains it

• Plectranthus ernstii

Cross-Links

• PubChem: 162943571
• LOTUS: LTS0090514
• wikiData: Q104921948