LACTOSE, ANHYDROUS

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Synonyms
Status
Molecule Category Free-form
UNII 13Q3A43E0S
EPA CompTox DTXSID2023193

Structure

InChI Key GUBGYTABKSRVRQ-DCSYEGIMSA-N
Smiles OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,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 4.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- - - - 44-75
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Erythrina crista-galli
- - - - 86
Gallus gallus
- - - - 39-75
Homo sapiens
- - - - 44-54

Related Entries

Cross References

Resources Reference
ChEBI 36218
ChEMBL CHEMBL417016
FDA SRS 13Q3A43E0S
Human Metabolome Database HMDB0041627
KEGG C01970
SureChEMBL SCHEMBL782
ZINC ZINC000004095761
CONTENTS