Summary

IMPPAT Phytochemical identifier: IMPHY005258

Phytochemical name: Colchiceinamid

Synonymous chemical names:
colchicamide

External chemical identifiers:
CID:18397, ChEMBL:CHEMBL357889, ZINC:ZINC000004025798, SureChEMBL:SCHEMBL12118701, MolPort-002-510-116

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Chemical structure information

SMILES:
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)N)c1OC

InChI:
InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)/t16-/m0/s1

InChIKey:
JWDFWIZNGSOUGC-INIZCTEOSA-N

DeepSMILES:
COccOC))ccc-ccccc=O)cc7[C@H]CC%12))NC=O)C)))))))N)))))c6OC

Functional groups:
CC(=O)NC, c=O, cN, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2c(c1)CCCc1ccccc1-2

Scaffold Graph/Node level:
OC1CCCC2C(CCCC3CCCCC32)C1

Scaffold Graph level:
CC1CCCC2C(CCCC3CCCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenethylisoquinoline alkaloids

NP-Likeness score: 0.724

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Chemical structure download