Lanost-7-en-3-ol, acetate, (3beta)-

Details

• Internal ID: e2c72070-1c36-41e3-93b1-9679218357e7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: [4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• SMILES (Canonical): CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
• SMILES (Isomeric): CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
• InChI: InChI=1S/C32H54O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h13,21-22,24-25,27-28H,10-12,14-20H2,1-9H3
• InChI Key: KKIPVJGDVKRFSF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₅₄O₂
• Molecular Weight: 470.80 g/mol
• Exact Mass: 470.412380961 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 10.20

Synonyms

• Lanost-7-en-3-ol, acetate, (3.beta.)-

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	98.92%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.55%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.39%	94.45%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	94.39%	82.69%
CHEMBL2581	P07339	Cathepsin D	93.25%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.99%	97.25%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.25%	93.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.71%	97.09%
CHEMBL4227	P25090	Lipoxin A4 receptor	85.59%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.00%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.32%	95.56%
CHEMBL2782	P35610	Acyl coenzyme A:cholesterol acyltransferase 1	84.26%	91.65%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	83.84%	93.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.77%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.34%	100.00%
CHEMBL2179	P04062	Beta-glucocerebrosidase	82.56%	85.31%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.11%	94.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.06%	99.17%

Plants that contains it

• Dracaena cinnabari

Cross-Links

• PubChem: 523664
• LOTUS: LTS0191346
• wikiData: Q105142209