Summary

IMPPAT Phytochemical identifier: IMPHY004474

Phytochemical name: Folerogenin

Synonymous chemical names:
7-methoxyaromadendrin, aromadendrin, 7-methoxy

External chemical identifiers:
CID:5319509, ChEMBL:CHEMBL452130, ChEBI:174885

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Chemical structure information

SMILES:
COc1cc2OC(c3ccc(cc3)O)C(C(=O)c2c(c1)O)O

InChI:
InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3

InChIKey:
LZLGHWHSUZVUFZ-UHFFFAOYSA-N

DeepSMILES:
COcccOCcccccc6))O)))))CC=O)c6cc%10)O))))O

Functional groups:
CO, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 1.896

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Chemical structure download