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Secondary metabolite: Benzocamphorin A
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C14H14O5
SMILES:
COc1c(C)c(C#CC(=O)C)c2c(c1OC)OCO2
InChI:
InChI=1S/C14H14O5/c1-8(15)5-6-10-9(2)11(16-3)13(17-4)14-12(10)18-7-19-14/h7H2,1-4H3
InChIKey:
RZGRLJDEIJYNEU-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2
Scaffold Graph/Node level:
C1CCC2OCOC2C1
Scaffold Graph level:
C1CCC2CCCC2C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organoheterocyclic compounds
Class:
Benzodioxoles
Synonymous chemical names:
benzocamphorin a
External chemical identifiers:
CID_54670088
;
NPATLAS_NPA018510
;
CHEMSPIDER_78435749
;
ZINC_ZINC000198912848
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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