Summary

IMPPAT Phytochemical identifier: IMPHY008235

Phytochemical name: Glyfoline

Synonymous chemical names:
glyfoline

External chemical identifiers:
CID:5480208, ChEMBL:CHEMBL88259, SureChEMBL:SCHEMBL9348448

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Chemical structure information

SMILES:
COc1c(OC)c(O)c2c(c1OC)n(C)c1c(c2=O)ccc(c1OC)O

InChI:
InChI=1S/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,20,22H,1-5H3

InChIKey:
IHSANOPPEBGTGL-UHFFFAOYSA-N

DeepSMILES:
COccOC))cO)ccc6OC)))nC)ccc6=O))cccc6OC)))O

Functional groups:
c=O, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 1.346

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Chemical structure download