2-Heptadeca-5,8,11-trienyl-2,3-dihydropyran-6-one

Details

• Internal ID: 5d04f28d-3f8f-49ac-85c1-48571c3541cc
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: 2-heptadeca-5,8,11-trienyl-2,3-dihydropyran-6-one
• InChI: InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(23)24-21/h6-7,9-10,12-13,17,20-21H,2-5,8,11,14-16,18-19H2,1H3
• InChI Key: NSHWWXNBJYFANB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.50 g/mol
• Exact Mass: 330.255880323 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 7.30

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
CHEMBL230	P35354	Cyclooxygenase-2	97.73%	89.63%
CHEMBL2581	P07339	Cathepsin D	95.61%	98.95%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	94.08%	90.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.56%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.38%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.62%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.43%	97.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	82.85%	92.08%
CHEMBL3401	O75469	Pregnane X receptor	81.14%	94.73%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.87%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 74052114
• LOTUS: LTS0199805
• wikiData: Q105185058