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Secondary metabolite: Eriodictyol
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C15H12O6
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
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21
Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Flavonoids
Sub class:
Flavans
Synonymous chemical names:
eriodictyol
External chemical identifiers:
CID_440735
;
CAS_552-58-9
;
CHEMSPIDER_389606
;
ZINC_ZINC000000058117
;
Molport_MolPort-003-938-846
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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