Ent-3beta,7alpha,19-trihydroxypimara-8(14),15-diene

Details

• Internal ID: 6d7557ee-8b31-426d-b830-410c340e878d
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 6-hydroxysteroids
• IUPAC Name: (1R,2R,4aS,4bS,7R,9S,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,9-diol
• InChI: InChI=1S/C20H32O3/c1-5-18(2)8-6-14-13(11-18)15(22)10-16-19(14,3)9-7-17(23)20(16,4)12-21/h5,11,14-17,21-23H,1,6-10,12H2,2-4H3/t14-,15+,16+,17-,18+,19+,20+/m1/s1
• InChI Key: LXHRQKRVBJFDRM-GRLHSABHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₃
• Molecular Weight: 320.50 g/mol
• Exact Mass: 320.23514488 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 3.50

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.61%	91.11%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	92.29%	82.69%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.13%	97.09%
CHEMBL1977	P11473	Vitamin D receptor	91.04%	99.43%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.37%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.41%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	88.15%	90.17%
CHEMBL226	P30542	Adenosine A1 receptor	86.40%	95.93%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.76%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.53%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	82.08%	94.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.33%	86.33%

Plants that contains it

• Senecio brevilorus
• Vernonanthura amplexicaulis

Cross-Links

• PubChem: 15241154
• LOTUS: LTS0129724
• wikiData: Q105182841