Summary

IMPPAT Phytochemical identifier: IMPHY004663

Phytochemical name: Mukonal

Synonymous chemical names:
mukonal

External chemical identifiers:
CID:504068, ChEMBL:CHEMBL1077147, ChEBI:172452

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Chemical structure information

SMILES:
O=Cc1cc2c(cc1O)[nH]c1c2cccc1

InChI:
InChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13(8)16/h1-7,14,16H

InChIKey:
NEAHWGSQUXSRNW-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6O)))[nH]cc5cccc6

Functional groups:
cC=O, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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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: 0.837

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Chemical structure download