2-(4-Hydroxybenzyl)prodigiosin

AlkaPlorer ID: AK073932

Synonym: 5''-(4-Hydroxybenzyl)-2-methyl-3-pentylprodiginine

IUPAC Name: 4-[[5-[4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol

Structure

SMILES: CCCCCC1=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/C27H31N3O2/c1-4-5-6-7-20-15-22(28-18(20)2)16-26-27(32-3)17-25(30-26)24-13-10-21(29-24)14-19-8-11-23(31)12-9-19/h8-13,15-17,29-31H,4-7,14H2,1-3H3

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InChIKey: OXHNVYWPYWEZOW-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 429.5640000000001

TPSA: 73.4

MolLogP: 6.636900000000007

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