Summary

IMPPAT Phytochemical identifier: IMPHY013047

Phytochemical name: Koeniginequinone A

Synonymous chemical names:
koeniginequinone a

External chemical identifiers:
CID:11264975, ChEMBL:CHEMBL496241, ChEBI:173738

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Chemical structure information

SMILES:
COc1ccc2c(c1)[nH]c1c2C(=O)C(=CC1=O)C

InChI:
InChI=1S/C14H11NO3/c1-7-5-11(16)13-12(14(7)17)9-4-3-8(18-2)6-10(9)15-13/h3-6,15H,1-2H3

InChIKey:
FBXPHUZRLGTRFW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)[nH]cc5C=O)C=CC6=O)))C

Functional groups:
CC1=CC(=O)ccC1=O, cOC, 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: 1.218

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Chemical structure download