2-(5-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol

Details

• Internal ID: ab167987-02b0-4285-8e15-4979da7f79b2
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• IUPAC Name: 2-(5-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol
• InChI: InChI=1S/C15H26O3/c1-10-4-5-13(17)14(2)7-6-11(8-12(10)14)15(3,18)9-16/h11,13,16-18H,4-9H2,1-3H3
• InChI Key: XPNTZHDXQQJTAF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 0.80

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.49%	97.25%
CHEMBL1871	P10275	Androgen Receptor	93.83%	96.43%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.90%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	92.28%	97.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.75%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.54%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.04%	100.00%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	88.06%	92.95%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	85.99%	90.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.93%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.01%	95.89%
CHEMBL1977	P11473	Vitamin D receptor	83.01%	99.43%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.38%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 78097915
• LOTUS: LTS0084938
• wikiData: Q104201220