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

Stem definitionDrug idCAS RN
3535 153-18-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • rutin
  • globulariacitrin
  • globularicitrin
  • myrticalorin
  • myrticolorin
  • quercetin 3-O-rutinoside
  • quercetin 3-rutinoside
  • quercetin rutinoside
  • rutabion
  • rutine
  • rutinic acid
  • rutoside
A flavonol glycoside found in many plants, including BUCKWHEAT; TOBACCO; FORSYTHIA; HYDRANGEA; VIOLA, etc. It has been used therapeutically to decrease capillary fragility.
  • Molecular weight: 610.52
  • Formula: C27H30O16
  • CLOGP: -1.36
  • LIPINSKI: 3
  • HAC: 16
  • HDO: 10
  • TPSA: 265.52
  • ALOGS: -2.24
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC C05CA01 CARDIOVASCULAR SYSTEM
VASOPROTECTIVES
CAPILLARY STABILIZING AGENTS
Bioflavonoids
ATC C05CA51 CARDIOVASCULAR SYSTEM
VASOPROTECTIVES
CAPILLARY STABILIZING AGENTS
Bioflavonoids

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Ascorbic acid deficiency indication 76169001
Methemoglobinemia off-label use 38959009 DOID:10783
Primary hyperoxaluria contraindication 17901006 DOID:2977
Anemia due to enzyme deficiency contraindication 111577008
Hb SS disease contraindication 127040003 DOID:10923
Hemochromatosis contraindication 399187006 DOID:2352

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 5.66 acidic
pKa2 8.12 acidic
pKa3 9.13 acidic
pKa4 11.35 acidic
pKa5 12.8 acidic
pKa6 13.49 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
Muscarinic acetylcholine receptor M5 GPCR Ki 7.45 PDSP
Alpha-2A adrenergic receptor GPCR Ki 5.03 CHEMBL
Acetylcholinesterase Enzyme IC50 7.92 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme IC50 4.28 CHEMBL
Alpha-2C adrenergic receptor GPCR Ki 5.02 CHEMBL
Bifunctional epoxide hydrolase 2 Enzyme IC50 4.61 CHEMBL
Neuromedin-U receptor 2 GPCR EC50 5.92 CHEMBL
Serum albumin Secreted IC50 4.38 CHEMBL
Sialidase Enzyme IC50 4.51 CHEMBL
Aldose reductase Enzyme IC50 4.89 CHEMBL
Neuraminidase Unclassified IC50 4.02 CHEMBL
Neuraminidase Enzyme Ki 4.47 CHEMBL

External reference:

IDSource
4018980 VUID
N0000147257 NUI
C0035976 UMLSCUI
D08499 KEGG_DRUG
5G06TVY3R7 UNII
2213 INN_ID
126145002 SNOMEDCT_US
4018980 VANDF
NOCODE MMSL
136910 MMSL
9500 RXNORM
68077006 SNOMEDCT_US
001034 NDDF
CHEMBL226335 ChEMBL_ID
RUT PDB_CHEM_ID
DB01698 DRUGBANK_ID
CHEBI:28527 CHEBI
D012431 MESH_DESCRIPTOR_UI
5280805 PUBCHEM_CID

Pharmaceutical products:

None