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Secondary metabolite: 1,4-Dimethoxy-2,3-methylenedioxy-5-methylbenzene
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C10H12O4
SMILES:
COc1cc(C)c(c2c1OCO2)OC
InChI:
InChI=1S/C10H12O4/c1-6-4-7(11-2)9-10(8(6)12-3)14-5-13-9/h4H,5H2,1-3H3
InChIKey:
RJXJHEYXZURDJH-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:
1,4-dimethoxy-2,3-methylenedioxy-5-methylbenzene, 4,7-dimethoxy-5-methyl-l,3- benzodioxole
External chemical identifiers:
CID_24776443
;
CAS_165816-66-0
;
NPATLAS_NPA009708
;
CHEMSPIDER_23284571
;
ZINC_ZINC000014590476
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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