5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol

Details

• Internal ID: 9620c490-fc98-494c-860c-7e9f068f34c8
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids
• IUPAC Name: 5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
• InChI: InChI=1S/C20H30O3/c1-14-4-7-17-19(2,10-8-18(22)20(17,3)13-21)16(14)6-5-15-9-11-23-12-15/h9,11-12,16-18,21-22H,1,4-8,10,13H2,2-3H3
• InChI Key: PZEBEPMPLUJJRI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.40 g/mol
• Exact Mass: 318.21949481 g/mol
• Topological Polar Surface Area (TPSA): 53.60 Ų
• XlogP: 4.20

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.79%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.34%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	91.49%	90.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.70%	97.09%
CHEMBL2581	P07339	Cathepsin D	86.99%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.77%	95.89%
CHEMBL226	P30542	Adenosine A1 receptor	85.47%	95.93%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.85%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.36%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.93%	86.33%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.78%	92.62%

Plants that contains it

• Gutierrezia grandis
• Gutierrezia sarothrae

Cross-Links

• PubChem: 162964837
• LOTUS: LTS0101293
• wikiData: Q105216928