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Secondary metabolite: Ferulic acid
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C10H10O4
SMILES:
COc1cc(/C=C/C(=O)O)ccc1O
InChI:
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey:
KSEBMYQBYZTDHS-HWKANZROSA-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:
Hydroxycinnamic acids and derivatives
Synonymous chemical names:
ferulic acid
External chemical identifiers:
CID_445858
;
CAS_537-98-4
;
CHEMSPIDER_393368
;
ZINC_ZINC000000058258
;
Molport_MolPort-000-490-395
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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