Summary

IMPPAT Phytochemical identifier: IMPHY013029

Phytochemical name: Glochidine

Synonymous chemical names:
glochidine[1up-1,20(29)-dien-3-one]

External chemical identifiers:
CID:10923312

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Chemical structure information

SMILES:
CCCCCCC12CCC(=O)N1CCc1n2cnc1

InChI:
InChI=1S/C15H23N3O/c1-2-3-4-5-8-15-9-6-14(19)17(15)10-7-13-11-16-12-18(13)15/h11-12H,2-10H2,1H3

InChIKey:
UQSZEARLICPLFX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)N5CCcn9cnc5

Functional groups:
CC(=O)N(C)C, cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2N1CCc1cncn12

Scaffold Graph/Node level:
OC1CCC2N1CCC1CNCN12

Scaffold Graph level:
CC1CCC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Imidazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Histidine alkaloids

NP Classifier Class: Imidazole alkaloids

NP-Likeness score: 0.232

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Chemical structure download