2-(4-Hydroxybenzyl)prodigiosin; Homologue (n = 6)

AlkaPlorer ID: AK300957

Synonym: 4''-Heptyl-2-(4-hydroxybenzyl)prodigiosin, 3-Heptyl-5''-(4-hydroxybenzyl)-2-methylprodiginine

IUPAC Name: None

Structure

SMILES: CCCCCCCC1=CC(=CC2=C(OC)C=C(C3=CC=C(CC4=CC=C(O)C=C4)N3)N2)N=C1C

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InChI: InChI=1S/C29H35N3O2/c1-4-5-6-7-8-9-22-17-24(30-20(22)2)18-28-29(34-3)19-27(32-28)26-15-12-23(31-26)16-21-10-13-25(33)14-11-21/h10-15,17-19,31-33H,4-9,16H2,1-3H3

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InChIKey: AULMKTDCXDFGCU-UHFFFAOYSA-N

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Reference

CAS: 1078607-95-0

Properties Information

Molecule Weight: 457.61800000000017

TPSA: 73.4

MolLogP: 7.417100000000008

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information