Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003292

Phytochemical name: Eriodictyol

Synonymous chemical names:
(dl)-eriodictyol, eriodictyol, eriodictiol, Eriodictyol

External chemical identifiers:
CID:CID_440735, ChEMBL:CHEMBL8996, ChEBI:CHEBI:28412, ZINC:ZINC000000058117, FDASRS:Q520486B8Y, SureChEMBL:SCHEMBL19180, MolPort-003-938-846

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Chemical structure information

SMILES:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1

InChIKey:
SBHXYTNGIZCORC-ZDUSSCGKSA-N

DeepSMILES:
OcccO[C@@H]CC=O)c6cc%10)O)))))cccccc6)O))O

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS039802, MSBNK-RIKEN_ReSpect-PS039811, MSBNK-RIKEN_ReSpect-PS039810, MSBNK-RIKEN_ReSpect-PS039809, MSBNK-RIKEN_ReSpect-PS039808, MSBNK-RIKEN_ReSpect-PS039807, MSBNK-RIKEN_ReSpect-PS039805, MSBNK-RIKEN_ReSpect-PS039804, MSBNK-RIKEN_ReSpect-PS039803, MSBNK-RIKEN_ReSpect-PS039812, MSBNK-RIKEN_ReSpect-PS039801, MSBNK-RIKEN-PR100226, MSBNK-RIKEN-PR040016, MSBNK-RIKEN-PR040015, MSBNK-RIKEN-PR040014, MSBNK-RIKEN-PR040013, MSBNK-RIKEN-PR040012, MSBNK-RIKEN-PR040011, MSBNK-RIKEN-PR020015, MSBNK-RIKEN-PR100639

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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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.884

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Chemical structure download