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Secondary metabolite: 3,4-Dihydroxybenzaldehyde
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C7H6O3
SMILES:
O=Cc1ccc(c(c1)O)O
InChI:
InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChIKey:
IBGBGRVKPALMCQ-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:
Organic oxygen compounds
Class:
Organooxygen compounds
Sub class:
Carbonyl compounds
Synonymous chemical names:
3,4-dihydroxybenzaldehyde, protocatechualdehyde
External chemical identifiers:
CID_8768
;
CAS_139-85-5
;
CHEMSPIDER_8438
;
ZINC_ZINC000000013245
;
Molport_MolPort-000-672-422
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