Structure

InChI Key CWVRJTMFETXNAD-JUHZACGLSA-N
Smile O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18O9
Molecular Weight 354.31
AlogP -0.65
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 164.75
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials
Glucose Intolerance 2 D018149 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 202650-88-2
ChEBI 16112
ChEMBL CHEMBL284616
DrugBank DB12029
FDA SRS 318ADP12RI
Human Metabolome Database HMDB0003164
KEGG C00852
PubChem 1794427
SureChEMBL SCHEMBL19466
ZINC ZINC000002138728