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name Structure Reference Source Properties Activities Metabolism

2,5-dihydroxy-3,6-bis(1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione

AlkaPlorer ID: AK246872

Synonym: None

IUPAC Name: 2,5-dihydroxy-3,6-bis(1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione

Structure

SMILES: O=C1C(O)=C(C2=CNC3=CC=CC=C23)C(=O)C(O)=C1C1=CNC2=CC=CC=C12

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InChI: InChI=1S/C22H14N2O4/c25-19-17(13-9-23-15-7-3-1-5-11(13)15)20(26)22(28)18(21(19)27)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25,28H

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InChIKey: HNGJGZFTQRJUIF-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Chrysosporium merdarium Chrysosporium Onygenaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 370.3640000000001

TPSA？: 106.18

MolLogP？: 4.039400000000001

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005272 CC(C)=CCOP(=O)(O)OP(=O)(O)O.O=C1C(O)=C(c2c[nH]c3ccccc23)C(=O)C(O)=C1c1c[nH]c2ccccc12>>C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c[nH]c3ccccc23)=C(O)C1=O RXN-15609
AKRT022584 O=C(O)C(=O)Cc1c[nH]c2ccccc12.O=C(O)C(=O)Cc1c[nH]c2ccccc12>>O=C1C(O)=C(c2c[nH]c3ccccc23)C(=O)C(O)=C1c1c[nH]c2ccccc12 RXN-15608
AKRT023492 O=C1C(O)=C(c2c[nH]c3ccccc23)C(=O)C(O)=C1c1c[nH]c2ccccc12>>O=C(O)C(=O)Cc1c[nH]c2ccccc12 MNXR172448
AKRT023493 O=C1C(O)=C(c2c[nH]c3ccccc23)C(=O)C(O)=C1c1c[nH]c2ccccc12>>OC1=C(c2c[nH]c3ccccc23)C(O)C(O)=C(c2c[nH]c3ccccc23)C1O RXN-15611