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Secondary metabolite: Coumarin
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C9H6O2
SMILES:
O=c1ccc2c(o1)cccc2
InChI:
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey:
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1
Scaffold Graph/Node level:
OC1CCC2CCCCC2O1
Scaffold Graph level:
CC1CCC2CCCCC2C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Coumarins and derivatives
Synonymous chemical names:
coumarin
External chemical identifiers:
CID_323
;
CAS_91-64-5
;
CHEMSPIDER_13848793
;
ZINC_ZINC000000074709
;
Molport_MolPort-000-881-054
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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