Summary

IMPPAT Phytochemical identifier: IMPHY004867

Phytochemical name: Homoferreirin

Synonymous chemical names:
homoferreirin

External chemical identifiers:
CID:442788, ChEBI:5754, MolPort-039-142-054

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Chemical structure information

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

InChI:
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3

InChIKey:
LMLDNMHDNFCNCW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))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: 1.455

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Chemical structure download