Summary

IMPPAT Phytochemical identifier: IMPHY008332

Phytochemical name: Mukonidine

Synonymous chemical names:
mukonidine

External chemical identifiers:
CID:10999153, ChEMBL:CHEMBL1088190, ChEBI:173737, ZINC:ZINC000014445254, SureChEMBL:SCHEMBL6052452

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Chemical structure information

SMILES:
COC(=O)c1cc2c(cc1O)[nH]c1c2cccc1

InChI:
InChI=1S/C14H11NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-7,15-16H,1H3

InChIKey:
SJVKEEPWQLIYIJ-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6O)))[nH]cc5cccc6

Functional groups:
cC(=O)OC, 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: 0.347

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Chemical structure download