7-ethenyl-7,9b-dimethyl-4,5,6,8,9,9a,10,11-octahydro-3bH-naphtho[2,1-e][2]benzofuran-5a-ol

Details

• Internal ID: a674d0c8-c2fe-45b6-8223-6ae4f9ca1fc4
• Taxonomy: Organoheterocyclic compounds > Heteroaromatic compounds
• IUPAC Name: 7-ethenyl-7,9b-dimethyl-4,5,6,8,9,9a,10,11-octahydro-3bH-naphtho[2,1-e][2]benzofuran-5a-ol
• InChI: InChI=1S/C20H28O2/c1-4-18(2)8-7-17-19(3)9-5-14-11-22-12-15(14)16(19)6-10-20(17,21)13-18/h4,11-12,16-17,21H,1,5-10,13H2,2-3H3
• InChI Key: SNGSHXQSCZHIPB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.40 g/mol
• Exact Mass: 300.208930132 g/mol
• Topological Polar Surface Area (TPSA): 33.40 Ų
• XlogP: 4.70

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	96.79%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.48%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	91.39%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.40%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.95%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.76%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.72%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.42%	92.94%

Plants that contains it

• Clinopodium chilense

Cross-Links

• PubChem: 162998413
• LOTUS: LTS0035345
• wikiData: Q105256421