(17-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Details

• Internal ID: 8f6555b5-c457-47bd-8d40-21cd49b22993
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters
• IUPAC Name: (17-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
• InChI: InChI=1S/C24H40O3/c1-15(25)27-20-11-12-22(4)18(21(20,2)3)10-14-24(6)19(22)8-7-16-17(26)9-13-23(16,24)5/h16-20,26H,7-14H2,1-6H3
• InChI Key: ZGNOIQYKSQVEAL-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.60 g/mol
• Exact Mass: 376.29774513 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 6.00

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.76%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.43%	94.45%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.21%	82.69%
CHEMBL340	P08684	Cytochrome P450 3A4	88.03%	91.19%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.75%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.72%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.22%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.64%	92.94%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.86%	95.89%
CHEMBL204	P00734	Thrombin	80.80%	96.01%

Plants that contains it

• Ficus pumila

Cross-Links

• PubChem: 85267218
• LOTUS: LTS0047232
• wikiData: Q105375341