hesperetin Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
1362 520-33-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hesperetin
  • hesperitin
aglycone of HESPERIDIN; structure
  • Molecular weight: 302.28
  • Formula: C16H14O6
  • CLOGP: 2.29
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 3
  • TPSA: 96.22
  • ALOGS: -3.34
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 20 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:35610 antineoplastic agent

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.78 acidic
pKa2 10.13 acidic
pKa3 10.68 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Cytochrome P450 1B1 Enzyme IC50 6.29 CHEMBL
Glycogen synthase kinase-3 beta Kinase IC50 4.57 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 6.34 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 6.99 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 8.48 CHEMBL

External reference:

IDSource
C0062585 UMLSCUI
1314255 RXNORM
CHEBI:28230 CHEBI
CHEMBL399121 ChEMBL_ID
DB01094 DRUGBANK_ID
Q9Q3D557F1 UNII
72281 PUBCHEM_CID
C013015 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None