Summary

IMPPAT Phytochemical identifier: IMPHY004701

Phytochemical name: Glyzarin

Synonymous chemical names:
glyzarin

External chemical identifiers:
CID:44257206, ChEBI:174784, ZINC:ZINC000015262111, FDASRS:IBR4B1Q1E5

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Chemical structure information

SMILES:
Cc1oc2c(C(=O)C)c(O)ccc2c(=O)c1c1ccccc1

InChI:
InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3

InChIKey:
KTCOGEGNUCOCON-UHFFFAOYSA-N

DeepSMILES:
CcoccC=O)C))cO)ccc6c=O)c%10cccccc6

Functional groups:
c=O, cC(C)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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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: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.337

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Chemical structure download