Arcyriarubin A; 6'-Hydroxy

AlkaPlorer ID: AK057896

Synonym: Arcyriarubin B

IUPAC Name: 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

Structure

SMILES: O=C1N=C(O)C(C2=CNC3=CC=CC=C23)=C1C1=CNC2=CC(O)=CC=C12

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InChI: InChI=1S/C20H13N3O3/c24-10-5-6-12-14(9-22-16(12)7-10)18-17(19(25)23-20(18)26)13-8-21-15-4-2-1-3-11(13)15/h1-9,21-22,24H,(H,23,25,26)

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InChIKey: FPFDAPLHFVEXKC-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 343.3420000000001

TPSA: 101.46999999999998

MolLogP: 3.7623000000000006

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Jurkat IC50 10.0 ug.mL-1 10.1021/np060269h

Metabolism Information