Summary

IMPPAT Phytochemical identifier: IMPHY015703

Phytochemical name: Glyinflanin H

Synonymous chemical names:
glabrocoumarone b

External chemical identifiers:
CID:15233562, ChEMBL:CHEMBL233766, ChEBI:85109, FDASRS:MM2Q83EZ8W

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(c2)c1ccc2c(c1O)C=CC(O2)(C)C

InChI:
InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3

InChIKey:
AOVQEAUIBICOLQ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5)cccccc6O))C=CCO6)C)C

Functional groups:
cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2cc(-c3cc4ccccc4o3)ccc2OC1

Scaffold Graph/Node level:
C1COC2CCC(C3CC4CCCCC4O3)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CC4CCCCC4C3)CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 2.061

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Chemical structure download