Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018157

Phytochemical name: 1H-Carbazole-1,4(9H)-dione

Synonymous chemical names:
1H-Carbazole-1,4(9H)-dione

External chemical identifiers:
ChEMBL:CHEMBL395887, SureChEMBL:SCHEMBL7726806

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Chemical structure information

SMILES:
O=C1C=CC(=O)c2c1c1ccccc1[nH]2

InChI:
InChI=1S/C12H7NO2/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13-12/h1-6,13H

InChIKey:
OEYRAYKXZFYTQR-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=O)cc6cccccc6[nH]9

Functional groups:
O=C1C=CC(=O)cc1, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2c1[nH]c1ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2C3CCCCC3NC12

Scaffold Graph level:
CC1CCC(C)C2C1CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 0.906

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Chemical structure download