5,25-Stigmastadienol

Details

• Internal ID: eb92d5c0-f924-417d-8845-e3cdd88f5802
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives
• IUPAC Name: 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES (Canonical): CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
• SMILES (Isomeric): CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
• InChI: InChI=1S/C29H48O/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/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3
• InChI Key: GHGKPLPBPGYSOO-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₈O
• Molecular Weight: 412.70 g/mol
• Exact Mass: 412.370516150 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 9.30

Synonyms

• 5,25-Stigmastadienol
• NSC144945
• Delta5,23 Stigmastadienol
• Poriferasta-5,25-dien-3-ol
• DTXSID80946457
• NSC-144945
• (-)-(3beta,24S)-Stigmasta-5,25-dien-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	97.80%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.73%	97.25%
CHEMBL226	P30542	Adenosine A1 receptor	95.80%	95.93%
CHEMBL2581	P07339	Cathepsin D	93.46%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.65%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	91.97%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	91.49%	90.17%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	91.21%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.84%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	90.76%	93.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.79%	97.09%
CHEMBL1871	P10275	Androgen Receptor	86.63%	96.43%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.55%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.60%	95.89%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.34%	100.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.51%	93.04%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.35%	82.69%

Plants that contains it

• Aegiphila obducta
• Ajuga reptans
• Calendula officinalis
• Carthamus tinctorius
• Clerodendrum bungei
• Clerodendrum chinense
• Clerodendrum colebrookianum
• Clerodendrum cyrtophyllum
• Clerodendrum infortunatum
• Clerodendrum mandarinorum
• Clerodendrum nutans
• Clerodendrum splendens
• Combretum indicum
• Cucurbita maxima
• Cucurbita pepo
• Eryngium foetidum
• Juglans regia
• Kalanchoe daigremontiana
• Kalanchoe marmorata
• Kalanchoe pinnata
• Laggera alata
• Momordica charantia
• Nicotiana tabacum
• Panax quinquefolius
• Phaseolus vulgaris
• Prunus zippeliana
• Strychnos spinosa
• Symphoricarpos albus
• Teucrium chamaedrys subsp. chamaedrys
• Teucrium fruticans
• Volkameria inermis
• Wrightia tinctoria
• Zea mays

Cross-Links

• PubChem: 286499
• LOTUS: LTS0067478
• wikiData: Q82924054