(5E,7E)-pentadeca-5,7-dien-9,11,13-triynal

Details

• Internal ID: b43cc37d-0943-49ef-9dde-9cc2e3a62f43
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
• IUPAC Name: (5E,7E)-pentadeca-5,7-dien-9,11,13-triynal
• SMILES (Canonical): CC#CC#CC#CC=CC=CCCCC=O
• SMILES (Isomeric): CC#CC#CC#C/C=C/C=C/CCCC=O
• InChI: InChI=1S/C15H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h8-11,15H,12-14H2,1H3/b9-8+,11-10+
• InChI Key: JEDFTXRPBCYSRQ-BNFZFUHLSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O
• Molecular Weight: 210.27 g/mol
• Exact Mass: 210.104465066 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.20

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	86.72%	96.09%
CHEMBL2581	P07339	Cathepsin D	85.45%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.65%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	82.08%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.96%	96.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.48%	89.34%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	81.07%	98.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.74%	95.56%

Plants that contains it

• Centaurea pullata
• Volutaria muricata

Cross-Links

• PubChem: 14412236
• LOTUS: LTS0155082
• wikiData: Q105125990