3-Methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one

Details

• Internal ID: 6cafdf2f-d8fd-46c0-afc1-234308bdf834
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: 3-methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one
• InChI: InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,13H,5-8H2,1-4H3
• InChI Key: AITZTJGBRHUSDK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₂O₂
• Molecular Weight: 222.32 g/mol
• Exact Mass: 222.161979940 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 2.80

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.60%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.51%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.84%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.81%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.65%	95.56%
CHEMBL255	P29275	Adenosine A2b receptor	84.86%	98.59%
CHEMBL340	P08684	Cytochrome P450 3A4	83.38%	91.19%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.57%	94.33%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.92%	97.25%

Plants that contains it

• Fabiana imbricata

Cross-Links

• PubChem: 14137321
• LOTUS: LTS0085608
• wikiData: Q104912970