7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,4,9-triol

Details

• Internal ID: 88f9b5b2-4e2d-4a2e-ad37-2b0b252e3556
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,4,9-triol
• InChI: InChI=1S/C20H32O3/c1-6-19(4)8-7-13-12(10-19)14(21)9-16-18(2,3)11-15(22)17(23)20(13,16)5/h6,10,13-17,21-23H,1,7-9,11H2,2-5H3
• InChI Key: WKQPFJNAQNETCI-UHFFFAOYSA-N
• Popularity: 0 references 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: 3.20

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	96.16%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.72%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.18%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.58%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.12%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.13%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.42%	100.00%
CHEMBL1977	P11473	Vitamin D receptor	83.85%	99.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.10%	95.89%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	83.07%	91.03%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.76%	93.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.31%	93.03%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.29%	95.56%

Plants that contains it

• Kaempferia marginata

Cross-Links

• PubChem: 73001649
• LOTUS: LTS0127802
• wikiData: Q105307623