Summary

IMPPAT Phytochemical identifier: IMPHY013049

Phytochemical name: Glabone

Synonymous chemical names:
glabone

External chemical identifiers:
CID:11346860, ChEMBL:CHEMBL223067

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc1c(c2)cco1

InChI:
InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,1H3

InChIKey:
WXBAKLJXQYICHT-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccc6)cco5

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc3occc3cc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC3OCCC3CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.63

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Chemical structure download