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Secondary metabolite: Methyl 3,4-dihydroxybenzoate
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C12H14O5
SMILES:
COC(=O)CCOc1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C12H14O5/c1-15-11(13)7-8-17-10-5-3-9(4-6-10)12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKey:
BGBJRURJDDRIRP-UHFFFAOYSA-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:
Benzenoids
Class:
Benzene and substituted derivatives
Sub class:
Benzoic acids and derivatives
Synonymous chemical names:
methyl 3,4-dihydroxybenzoate, methyl 3-(4-methoxycarbonylphenoxy)-propionate
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo