Summary

IMPPAT Phytochemical identifier: IMPHY004358

Phytochemical name: Koenine

Synonymous chemical names:
koenine

External chemical identifiers:
CID:5318827, ChEBI:173980, ZINC:ZINC000015257184

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c1cc(C)c3c(c1[nH]2)C=CC(O3)(C)C

InChI:
InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3

InChIKey:
VISKLVOLGCYFCW-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)cccC)ccc6[nH]9))C=CCO6)C)C

Functional groups:
cC=CC, cO, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 2.163

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Chemical structure download