Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012803

Phytochemical name: (1-methoxy-9H-carbazol-3-yl)methanol

Synonymous chemical names:
koenoline, Koenoline

External chemical identifiers:
CID:CID_375152, ChEMBL:CHEMBL503498, ChEBI:CHEBI:171730, SureChEMBL:SCHEMBL6052281

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Chemical structure information

SMILES:
COc1cc(CO)cc2c1[nH]c1c2cccc1

InChI:
InChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3

InChIKey:
KNKVHLASDDREQS-UHFFFAOYSA-N

DeepSMILES:
COcccCO))ccc6[nH]cc5cccc6

Functional groups:
cOC, c[nH]c, CO

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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: 0.627

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Chemical structure download