1-[(2R,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethanone

Details

• Internal ID: 0736a6b6-d8a9-4c8f-b99d-18928898a3cc
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids
• IUPAC Name: 1-[(2R,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethanone
• InChI: InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15-8-11-19(3,17(22)13-21)12-14(15)6-7-16(18)20/h12,15-16,21H,5-11,13H2,1-4H3/t15-,16-,19+,20+/m0/s1
• InChI Key: AAZCYGRPIATBDB-XAMWDVODSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 37.30 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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.06%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.05%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.82%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.59%	97.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	90.44%	82.69%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.07%	100.00%
CHEMBL2581	P07339	Cathepsin D	82.08%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.46%	95.89%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.37%	91.07%
CHEMBL5028	O14672	ADAM10	80.86%	97.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.56%	95.56%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.03%	100.00%

Plants that contains it

• Ceriops tagal

Cross-Links

• PubChem: 162989008
• LOTUS: LTS0134563
• wikiData: Q104908468