Haloxyline B

AlkaPlorer ID: AK085778

Synonym: '(-)-Haloxyline B'

IUPAC Name: (2Z,4Z)-22-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]docosa-2,4-dien-1-one

Structure

SMILES: O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCC[C@H](O)C1

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InChI: InChI=1S/C27H49NO3/c29-24-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22-27(31)28-23-20-21-26(30)25-28/h14,16,18,22,26,29-30H,1-13,15,17,19-21,23-25H2/b16-14-,22-18-/t26-/m0/s1

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InChIKey: NRAYLTGUCYPLFK-PWGWHYEPSA-N

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Source

Properties Information

Molecule Weight: 435.69300000000027

TPSA: 60.77

MolLogP: 6.316000000000008

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information