17-(5-Ethyl-6-methylheptan-2-yl)-6-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Details

• Internal ID: 016b26f4-09f8-47f3-ae78-e43875e5872a
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids
• IUPAC Name: 17-(5-ethyl-6-methylheptan-2-yl)-6-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• InChI: InChI=1S/C27H44O2/c1-5-18(16(2)3)7-6-17(4)20-10-11-22-21(20)12-13-23-24-9-8-19(28)14-26(24)27(29)15-25(22)23/h14,16-18,20-25,27,29H,5-13,15H2,1-4H3
• InChI Key: GGBLTSFYLCGVAG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.60 g/mol
• Exact Mass: 400.334130642 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 7.10

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
CHEMBL2581	P07339	Cathepsin D	97.03%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.96%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.67%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.95%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.38%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.36%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.07%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.23%	100.00%
CHEMBL226	P30542	Adenosine A1 receptor	87.38%	95.93%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.09%	90.71%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.27%	95.89%
CHEMBL1871	P10275	Androgen Receptor	85.88%	96.43%

Plants that contains it

• Aristolochia indica

Cross-Links

• PubChem: 162957078
• LOTUS: LTS0074403
• wikiData: Q105007942