[(2R,4bS,8aS)-2-ethenyl-4b,8,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl]methanol

Details

• Internal ID: ca30a62c-0163-48ed-b37f-e1a5a9d9ad23
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: [(2R,4bS,8aS)-2-ethenyl-4b,8,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl]methanol
• InChI: InChI=1S/C20H32O/c1-5-20(14-21)12-9-16-15(13-20)7-8-17-18(2,3)10-6-11-19(16,17)4/h5,17,21H,1,6-14H2,2-4H3/t17-,19+,20+/m0/s1
• InChI Key: MMTGIQZFHVAIQV-DFQSSKMNSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.50 g/mol
• Exact Mass: 288.245315640 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 5.10

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	95.63%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.42%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.40%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.92%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.95%	100.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	86.63%	95.50%
CHEMBL226	P30542	Adenosine A1 receptor	86.04%	95.93%
CHEMBL233	P35372	Mu opioid receptor	86.03%	97.93%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.97%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.45%	95.89%
CHEMBL2581	P07339	Cathepsin D	83.63%	98.95%
CHEMBL1977	P11473	Vitamin D receptor	83.45%	99.43%
CHEMBL1902	P62942	FK506-binding protein 1A	83.11%	97.05%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.41%	92.94%

Plants that contains it

• Vellozia squamata

Cross-Links

• PubChem: 163071133
• LOTUS: LTS0136466
• wikiData: Q105168047