2-(4-Hydroxybenzyl)cycloprodigiosin

AlkaPlorer ID: AK300936

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=C(C=C2N=C(C)C3=C2C(C)CCC3)NC(C2=CC=C(CC3=CC=C(O)C=C3)N2)=C1

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InChI: InChI=1S/C27H29N3O2/c1-16-5-4-6-21-17(2)28-25(27(16)21)14-24-26(32-3)15-23(30-24)22-12-9-19(29-22)13-18-7-10-20(31)11-8-18/h7-12,14-16,29-31H,4-6,13H2,1-3H3

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InChIKey: GLPCLFOYUNCDMO-UHFFFAOYSA-N

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Reference

CAS: 1078607-98-3

Properties Information

Molecule Weight: 427.54800000000006

TPSA: 73.4

MolLogP: 6.246800000000007

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information