Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012808

Phytochemical name: Mukolidine

Synonymous chemical names:
Mukolidine, mukolidine

External chemical identifiers:
CID:CID_53465568, ZINC:ZINC000014445246

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Chemical structure information

SMILES:
O=Cc1ccc2c(c1)c1cccc(c1[nH]2)OC

InChI:
InChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3

InChIKey:
KSTPFEFAPRYLOZ-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6)cccccc6[nH]9))OC

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

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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: 0.362

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Chemical structure download