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Secondary metabolite: Catechin
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H14O6
SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
InChI:
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChIKey:
PFTAWBLQPZVEMU-DZGCQCFKSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1
Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1
Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Flavonoids
Sub class:
Flavans
Synonymous chemical names:
catechin
External chemical identifiers:
CID_9064
;
CAS_154-23-4
;
CHEMSPIDER_8711
;
ZINC_ZINC000000119983
;
Molport_MolPort-001-740-277
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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