INOSITOL

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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
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Related Entries

Cross References

Resources Reference
CAS NUMBER 87-89-8
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