INOSITOL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A11HA07
UNII 4L6452S749
EPA CompTox DTXSID7023146

Structure

InChI Key CDAISMWEOUEBRE-GPIVLXJGSA-N
Smiles O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.16
AlogP -3.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Polar Surface Area 121.38
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 30

Related Entries

Cross References

Resources Reference
ChEBI 17268
ChEMBL CHEMBL1222251
DrugBank DB13178
DrugCentral 1444
FDA SRS 4L6452S749
Human Metabolome Database HMDB0000211
Guide to Pharmacology 4495
KEGG C00137
PDB INS
SureChEMBL SCHEMBL5831
ZINC ZINC000100018867
CONTENTS