LACTULOSE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A06AD11
UNII 9XH2P2N8EP
EPA CompTox DTXSID5045833

Structure

InChI Key JCQLYHFGKNRPGE-FCVZTGTOSA-N
Smiles OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O11
Molecular Weight 342.3
AlogP -5.4
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 5.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Colonic bacteria substrate None PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 90.31-104.92
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 90.31-104.92

Related Entries

Cross References

Resources Reference
ChEBI 6359
ChEMBL CHEMBL296306
DrugBank DB00581
FDA SRS 9XH2P2N8EP
Human Metabolome Database HMDB0000740
KEGG C07064
PharmGKB PA164748762
SureChEMBL SCHEMBL18912
ZINC ZINC000003977952
CONTENTS