Summary

IMPPAT Phytochemical identifier: IMPHY002943

Phytochemical name: Gloriosine

Synonymous chemical names:
gloriosine, n-formyl-desacetylcolchicine, n-formyl-n-deacetylcolchicine, n-formyldeacetyl colchicine, n-formyldeacetylcolchicine

External chemical identifiers:
CID:23890, ChEMBL:CHEMBL85710, ChEBI:138826, ZINC:ZINC000005731907, FDASRS:U02803H7OJ, SureChEMBL:SCHEMBL4069971

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Chemical structure information

SMILES:
O=CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC

InChI:
InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

InChIKey:
HDSXDWASQCHADG-HNNXBMFYSA-N

DeepSMILES:
O=CN[C@H]CCcc-cc7cc=O)ccc7))OC)))))))cOC))ccc6)OC)))OC

Functional groups:
CNC=O, c=O, 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: 1.045

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Chemical structure download