2-(1H-indol-3-yl)ethyl (9E,14E)-octadeca-9,14-dien-12-ynoate

AlkaPlorer ID: AK585569

Synonym: None

IUPAC Name: 2-(1H-indol-3-yl)ethyl (9Z,14Z)-octadeca-9,14-dien-12-ynoate

Structure

SMILES: CCC/C=C\C#CC/C=C\CCCCCCCC(=O)OCCC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C28H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(30)31-23-22-25-24-29-27-20-18-17-19-26(25)27/h4-5,9-10,17-20,24,29H,2-3,8,11-16,21-23H2,1H3/b5-4-,10-9-

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InChIKey: YTTXOFYGAUPLSL-ACHWKMRWSA-N

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Properties Information

Molecule Weight: 419.6090000000001

TPSA: 42.09

MolLogP: 7.290300000000006

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information