Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012786

Phytochemical name: Koenigicine

Synonymous chemical names:
koenigicine, koenimbidine, Koenigicine, koenidine, Koenidine

External chemical identifiers:
CID:CID_278055, ChEMBL:CHEMBL3893262

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C

InChI:
InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3

InChIKey:
IUZVYLWUISSZCS-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))[nH]cc5ccC)cc6C=CCO6)C)C

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

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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: 1.701

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Chemical structure download