Summary

IMPPAT Phytochemical identifier: IMPHY004869

Phytochemical name: Ferreirin

Synonymous chemical names:
ferreirin

External chemical identifiers:
CID:442771, ChEBI:5018

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)C1COc2c(C1=O)c(O)cc(c2)O

InChI:
InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3

InChIKey:
CBEPNYOFLRIAGR-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))CCOccC6=O))cO)ccc6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

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: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.767

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Chemical structure download