This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Daidzein
- DrugBank Accession Number
- DB13182
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Daidzein (DB13182)
- Weight
- Average: 254.241
Monoisotopic: 254.057908802 - Chemical Formula
- C15H10O4
- Synonyms
- 4',7-dihydroxyisoflavone
- 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
- 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- 7,4'-dihydroxyisoflavone
- Daidzeol
- Isoaurostatin
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Daidzein is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Daidzein is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Daidzein is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Daidzein is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Daidzein is combined with Bupivacaine. - Food Interactions
- Not Available
Products
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Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Isoflavonoids
- Sub Class
- Isoflav-2-enes
- Direct Parent
- Isoflavones
- Alternative Parents
- Hydroxyisoflavonoids / Chromones / Pyranones and derivatives / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Heteroaromatic compounds / Oxacyclic compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Chromone / Heteroaromatic compound / Hydrocarbon derivative / Hydroxyisoflavonoid / Isoflavone
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- 7-hydroxyisoflavones (CHEBI:28197) / isoflavones, Isoflavonoids (C10208) / Isoflavonoids (LMPK12050038) / an isoflavone, a 4'-hydroxyisoflavone (DAIDZEIN)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6287WC5J2L
- CAS number
- 486-66-8
- InChI Key
- ZQSIJRDFPHDXIC-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
- IUPAC Name
- 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
- SMILES
- OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003312
- KEGG Compound
- C10208
- ChemSpider
- 4445025
- BindingDB
- 23420
- ChEBI
- 28197
- ChEMBL
- CHEMBL8145
- ZINC
- ZINC000018847034
- PDBe Ligand
- ZF1
- Wikipedia
- Daidzein
- PDB Entries
- 7ebu
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Prostate Cancer 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0849 mg/mL ALOGPS logP 3.3 ALOGPS logP 2.73 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 6.48 Chemaxon pKa (Strongest Basic) -5.3 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 69.7 m3·mol-1 Chemaxon Polarizability 25.75 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]- 167.2773898 predictedDarkChem Lite v0.1.0 [M-H]- 156.8137576 predictedDarkChem Lite v0.1.0 [M-H]- 166.9861898 predictedDarkChem Lite v0.1.0 [M-H]- 167.1402898 predictedDarkChem Lite v0.1.0 [M-H]- 158.96487 predictedDeepCCS 1.0 (2019) [M+H]+ 167.7815898 predictedDarkChem Lite v0.1.0 [M+H]+ 168.5674898 predictedDarkChem Lite v0.1.0 [M+H]+ 167.8021898 predictedDarkChem Lite v0.1.0 [M+H]+ 168.0641898 predictedDarkChem Lite v0.1.0 [M+H]+ 161.32289 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.2745898 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.1139062 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.7381898 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.41603 predictedDeepCCS 1.0 (2019)
Drug created at June 11, 2017 22:14 / Updated at June 12, 2020 16:53