delta7-Stigmasterol

Details

• Internal ID: 3f99092f-51e0-4767-8252-4d7fbd88d967
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives
• IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• InChI: InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
• InChI Key: OQMZNAMGEHIHNN-CIFIHVIMSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₆O
• Molecular Weight: 410.70 g/mol
• Exact Mass: 410.354866087 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 8.00

Synonyms

• delta7-Stigmasterol
• 481-19-6
• 7-Dehydrostigmasterol
• delta-7-Stigmasterol
• 37VY8G1D5A
• Stigmasta-5,7,22E-trien-3beta-ol
• DTXSID50197414
• (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• (3S,9S,10R,13R,14R,17R)-17-((E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
• RefChem:105994
• DTXCID60119905
• Corbisterin
• .delta.7-Stigmasterol
• .delta.5,7,22-Stigmastatrienol
• delta 7-stigmasterol
• (24S)-Stigmasta-5,7,22-trien-3.beta.-ol
• Stigmasta-5,7,22-trien-3-ol, (3.beta.)-
• Stigmasterol Impurity 4
• (22E)-Stigmasta-5,7,22-trien-3beta-ol
• UNII-37VY8G1D5A
• 7-STIGMASTEROL, DELTA-
• SCHEMBL18340677
• CHEBI:166889
• LMST01040203
• MSK158963
• Stigmasta-5,7,22-trien-3-ol, (3beta)-
• G82584
• Q27896544
• 24(S)-24-ETHYLCHOLESTA-5,7,TRANS-22-TRIEN-3.BETA.-OL
• (3S,9S,10R,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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	97.78%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.64%	97.25%
CHEMBL226	P30542	Adenosine A1 receptor	96.09%	95.93%
CHEMBL2581	P07339	Cathepsin D	93.52%	98.95%
CHEMBL1977	P11473	Vitamin D receptor	92.96%	99.43%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.24%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.77%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.59%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.55%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	87.62%	90.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.44%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.02%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.10%	93.56%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	83.43%	82.69%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.10%	90.71%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.77%	100.00%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	81.75%	92.86%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.23%	95.56%
CHEMBL5600	P27448	Serine/threonine-protein kinase c-TAK1	80.56%	88.81%

Plants that contains it

• Asparagus racemosus
• Phellodendron amurense
• Salvia bracteata

Cross-Links

• PubChem: 12303924
• LOTUS: LTS0074524
• wikiData: Q27896544