1-(1-acetyl-4-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone

Details

• Internal ID: 2a0f7c7e-4151-4c60-bd42-f1a6c8627582
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: 1-(1-acetyl-4-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
• InChI: InChI=1S/C16H24O3/c1-9-6-5-7-13-14(19)8-12(10(2)17)15(11(3)18)16(9,13)4/h7,9,12,14-15,19H,5-6,8H2,1-4H3
• InChI Key: ULYNRVYLRQWJPH-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄O₃
• Molecular Weight: 264.36 g/mol
• Exact Mass: 264.17254462 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 1.30

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	92.60%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.97%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.52%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	90.13%	90.17%
CHEMBL340	P08684	Cytochrome P450 3A4	86.19%	91.19%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.52%	100.00%
CHEMBL4208	P20618	Proteasome component C5	83.88%	90.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.68%	97.25%
CHEMBL2581	P07339	Cathepsin D	80.33%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 74334192
• LOTUS: LTS0047345
• wikiData: Q105275423