MeFSAT
Me
dicinal
F
ungi
S
econdary metabolites
A
nd
T
herapeutics
Home
Basic search
Advanced search
Statistics
Acknowledgement
Download
Help
Secondary metabolite: Benzocamphorin B
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H16O4
SMILES:
COc1c(C)c(C#CC(=C)C)c2c(c1OC)OCO2
InChI:
InChI=1S/C15H16O4/c1-9(2)6-7-11-10(3)12(16-4)14(17-5)15-13(11)18-8-19-15/h1,8H2,2-5H3
InChIKey:
OJOWAFWCUHHNHF-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 b
External chemical identifiers:
CID_53322607
;
NPATLAS_NPA002019
;
CHEMSPIDER_26379973
;
ZINC_ZINC000066259414
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP