Summary

IMPPAT Phytochemical identifier: IMPHY008333

Phytochemical name: Mukonine

Synonymous chemical names:
mukonine

External chemical identifiers:
CID:5319913, ChEMBL:CHEMBL236143, ChEBI:173804, ZINC:ZINC000014445252, SureChEMBL:SCHEMBL17817163

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Chemical structure information

SMILES:
COC(=O)c1cc(OC)c2c(c1)c1ccccc1[nH]2

InChI:
InChI=1S/C15H13NO3/c1-18-13-8-9(15(17)19-2)7-11-10-5-3-4-6-12(10)16-14(11)13/h3-8,16H,1-2H3

InChIKey:
GIKICDROPGNERQ-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccOC))ccc6)cccccc6[nH]9

Functional groups:
cC(=O)OC, cOC, 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: 0.167

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Chemical structure download