Pentadeca-8Z,11Z-dien-2-on

Details

• Internal ID: 025e720a-4a12-4161-a127-f8eb29e7a865
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
• IUPAC Name: (8Z,11Z)-pentadeca-8,11-dien-2-one
• SMILES (Canonical): CCCC=CCC=CCCCCCC(=O)C
• SMILES (Isomeric): CCC/C=C\C/C=C\CCCCCC(=O)C
• InChI: InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h5-6,8-9H,3-4,7,10-14H2,1-2H3/b6-5-,9-8-
• InChI Key: HDOQHUXLHUAFCN-AFJQJTPPSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 4.60

Synonyms

• SCHEMBL3412751

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
CHEMBL3060	Q9Y345	Glycine transporter 2	96.32%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.49%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.85%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.93%	97.21%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	82.65%	92.08%
CHEMBL1781	P11387	DNA topoisomerase I	82.39%	97.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.44%	96.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.89%	94.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.57%	89.34%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	80.49%	90.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.24%	96.00%

Plants that contains it

• Echinacea pallida

Cross-Links

• PubChem: 25172308
• LOTUS: LTS0234736
• wikiData: Q105026469