Summary

IMPPAT Phytochemical identifier: IMPHY005062

Phytochemical name: Glyzaglabrin

Synonymous chemical names:
glyzaglabrin

External chemical identifiers:
CID:5317777, ChEBI:174835, ZINC:ZINC000013546348

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Chemical structure information

SMILES:
Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1O)OCO2

InChI:
InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2

InChIKey:
GRMSSCUVELGNHC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cccccc6O))OCO5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCOC3C2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.268

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Chemical structure download