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Secondary metabolite: Cinnamic acid
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C9H8O2
SMILES:
OC(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey:
WBYWAXJHAXSJNI-VOTSOKGWSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Cinnamic acids and derivatives
Sub class:
Cinnamic acids
Synonymous chemical names:
cinnamic acid
External chemical identifiers:
CID_444539
;
CAS_140-10-3
;
CHEMSPIDER_392447
;
ZINC_ZINC000016051516
;
Molport_MolPort-000-881-745
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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