(5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one

Details

• Internal ID: 95752cc2-8dae-40fe-a330-c62d239e2e97
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: (5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one
• InChI: InChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,18H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+
• InChI Key: APVCOKXFZCKIQG-YNQQSWPQSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀O₂
• Molecular Weight: 256.34 g/mol
• Exact Mass: 256.146329876 g/mol
• Topological Polar Surface Area (TPSA): 37.30 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	93.20%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.34%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.38%	99.17%
CHEMBL2581	P07339	Cathepsin D	90.04%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	86.36%	90.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	84.05%	92.86%
CHEMBL230	P35354	Cyclooxygenase-2	84.00%	89.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.80%	91.11%

Plants that contains it

• Cicuta virosa

Cross-Links

• PubChem: 10824982
• NPASS: NPC300121
• ChEMBL: CHEMBL421759
• LOTUS: LTS0213716
• wikiData: Q104916570