3-Methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one

Details

• Internal ID: e3c0f61a-ac61-408b-96dc-925ae05e36e1
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
• InChI: InChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)14(15(17)9-13)8-6-12(4)16/h11,13-14H,1,5-9H2,2-4H3
• InChI Key: CGLWYEZJKQTMLC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 3.10

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
CHEMBL4040	P28482	MAP kinase ERK2	95.06%	83.82%
CHEMBL2581	P07339	Cathepsin D	94.77%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.28%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.72%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.15%	97.25%
CHEMBL340	P08684	Cytochrome P450 3A4	83.72%	91.19%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.15%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.55%	97.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.65%	96.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73299025
• LOTUS: LTS0095141
• wikiData: Q104957857