Haloxyline A

AlkaPlorer ID: AK102661

Synonym: ''

IUPAC Name: 22-hydroxy-1-piperidin-1-yldocosa-2,4-dien-1-one

Structure

SMILES: O=C(C=CC=CCCCCCCCCCCCCCCCCCO)N1CCCCC1

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InChI: InChI=1S/C27H49NO2/c29-26-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-23-27(30)28-24-20-18-21-25-28/h14,16,19,23,29H,1-13,15,17-18,20-22,24-26H2

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InChIKey: PRNFXRJMEAUSFT-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 419.6940000000003

TPSA: 40.54

MolLogP: 7.345200000000009

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information