DIOSMIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C05CA03
UNII: 7QM776WJ5N

Structure
InChI Key GZSOSUNBTXMUFQ-YFAPSIMESA-N
Smile COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
InChI
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32O15
Molecular Weight 608.55
AlogP -1.09
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 7.0
Polar Surface Area 238.2
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10
Enzyme Kinase Protein Kinase Other protein kinase group
- 3890 - - -
Enzyme Oxidoreductase
- - - - 0
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 31-36
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- 10140 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 67

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Insufficiency 3 D014689 ClinicalTrials
Infertility 2 D007246 ClinicalTrials
Menorrhagia 1 D008595 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 520-27-4
ChEBI 4631
ChEMBL CHEMBL231884
DrugBank DB08995
DrugCentral 3157
EPA CompTox DTXSID4045892
FDA SRS 7QM776WJ5N
KEGG C10039
PubChem 5281613
SureChEMBL SCHEMBL120870
ZINC ZINC000004098512
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