Chrysin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Chrysin
- DrugBank Accession Number
- DB15581
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 254.2375
Monoisotopic: 254.057908808 - Chemical Formula
- C15H10O4
- Synonyms
- 5,7-dihydroxyflavone
- Galangin flavanone
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3CN01F5ZJ5
- CAS number
- 480-40-0
- InChI Key
- RTIXKCRFFJGDFG-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
- IUPAC Name
- 5,7-dihydroxy-2-phenyl-4H-chromen-4-one
- SMILES
- OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0036619
- KEGG Compound
- C10028
- ChemSpider
- 4444926
- BindingDB
- 7461
- 1362888
- ChEBI
- 75095
- ChEMBL
- CHEMBL117
- ZINC
- ZINC000003872070
- PDBe Ligand
- 57D
- Wikipedia
- Chrysin
- PDB Entries
- 3ebo / 4des / 7d38
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.105 mg/mL ALOGPS logP 3.44 ALOGPS logP 3.01 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 6.58 Chemaxon pKa (Strongest Basic) -5.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 70.93 m3·mol-1 Chemaxon Polarizability 25.73 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.7329898 predictedDarkChem Lite v0.1.0 [M-H]- 160.3732144 predictedDarkChem Lite v0.1.0 [M-H]- 166.8071898 predictedDarkChem Lite v0.1.0 [M-H]- 166.8836898 predictedDarkChem Lite v0.1.0 [M-H]- 153.32289 predictedDeepCCS 1.0 (2019) [M+H]+ 168.0879898 predictedDarkChem Lite v0.1.0 [M+H]+ 157.730468 predictedDarkChem Lite v0.1.0 [M+H]+ 168.0451898 predictedDarkChem Lite v0.1.0 [M+H]+ 168.0410898 predictedDarkChem Lite v0.1.0 [M+H]+ 155.71846 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.2139898 predictedDarkChem Lite v0.1.0 [M+Na]+ 163.92654 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.2441898 predictedDarkChem Lite v0.1.0 [M+Na]+ 166.9680898 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.71367 predictedDeepCCS 1.0 (2019)
Drug created at December 10, 2019 18:45 / Updated at June 12, 2020 16:53