Summary

IMPPAT Phytochemical identifier: IMPHY007423

Phytochemical name: Colchicoside

Synonymous chemical names:
3-demethylcolchicine glucoside, colchicoside

External chemical identifiers:
CID:92763, ChEBI:81415, ZINC:ZINC000004212683, FDASRS:DYD0I854K7, SureChEMBL:SCHEMBL13673737, MolPort-046-196-557

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc3CC[C@@H](c4c(-c3c(c2OC)OC)ccc(c(=O)c4)OC)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1

InChIKey:
UXAFRQPVHYZDED-ZZEDUEFDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccCC[C@@H]cc-c7cc%11OC)))OC))))cccc=O)c7))OC)))))))NC=O)C))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC(=O)NC, CO, c=O, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2c(c1)CCCc1cc(OC3CCCCO3)ccc1-2

Scaffold Graph/Node level:
OC1CCCC2C(CCCC3CC(OC4CCCCO4)CCC32)C1

Scaffold Graph level:
CC1CCCC2C(CCCC3CC(CC4CCCCC4)CCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenethylisoquinoline alkaloids

NP-Likeness score: 1.507

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Chemical structure download