2-(4-Hydroxybenzyl)prodigiosin; Homologue (n = 5)

AlkaPlorer ID: AK300956

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

IUPAC Name: None

Structure

SMILES: CCCCCCC1=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/C28H33N3O2/c1-4-5-6-7-8-21-16-23(29-19(21)2)17-27-28(33-3)18-26(31-27)25-14-11-22(30-25)15-20-9-12-24(32)13-10-20/h9-14,16-18,30-32H,4-8,15H2,1-3H3

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InChIKey: ABQOFUTWDPIXNE-UHFFFAOYSA-N

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Reference

CAS: 1078607-93-8

Properties Information

Molecule Weight: 443.5910000000001

TPSA: 73.4

MolLogP: 7.027000000000008

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