3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2,7-diol

Details

• Internal ID: a094a470-1411-4783-b3d7-ce884fbe547c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: 3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2,7-diol
• InChI: InChI=1S/C15H24O3/c1-9(8-16)13-7-15(3)10(2)4-12(17)5-11(15)6-14(13)18/h5,10,12-14,16-18H,1,4,6-8H2,2-3H3
• InChI Key: DAVVJPQMLBOZPK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 1.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.31%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.12%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.12%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.79%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.51%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.93%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	84.22%	95.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.72%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.03%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162816121
• LOTUS: LTS0096393
• wikiData: Q103818229