Summary

IMPPAT Phytochemical identifier: IMPHY001695

Phytochemical name: Glabra II

Synonymous chemical names:
galbra ii, glabra ii

External chemical identifiers:
CID:15719488, ZINC:ZINC000014677169

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Chemical structure information

SMILES:
COc1cc(cc2c1OCO2)c1cc(=O)c2c(o1)c1ccoc1cc2

InChI:
InChI=1S/C19H12O6/c1-21-16-6-10(7-17-19(16)24-9-23-17)15-8-13(20)11-2-3-14-12(4-5-22-14)18(11)25-15/h2-8H,9H2,1H3

InChIKey:
OYCTVEVNYAUZKM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OCO5))))))ccc=O)cco6)cccoc5cc9

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2C1CCC1CCCC12

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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: 1.042

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Chemical structure download