HESPERIDIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E750O06Y6O

Structure
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Smile COc1ccc([C@@H]2CC(=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/C28H34O15/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/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H34O15
Molecular Weight 610.57
AlogP -1.16
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 7.0
Polar Surface Area 234.29
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 43.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 100000 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - - 100
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- 19160 - - -
Membrane receptor
- - - - 40
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106
Unclassified protein
- 70000-74000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 3 D010024 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 520-26-3
ChEBI 28775
ChEMBL CHEMBL449317
DrugBank DB04703
EPA CompTox DTXSID9044328
FDA SRS E750O06Y6O
KEGG C09755
PubChem 10621
SureChEMBL SCHEMBL94586
ZINC ZINC000008143568
CONTENTS