Biochanin A

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Biochanin A
Accession Number
DB15334
Type
Small Molecule
Groups
Investigational
Description

Biochanin A is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
U13J6U390T
CAS number
491-80-5
Weight
Average: 284.267
Monoisotopic: 284.068473486
Chemical Formula
C16H12O5
InChI Key
WUADCCWRTIWANL-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
IUPAC Name
SMILES
COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinBiochanin A may decrease the anticoagulant activities of (R)-warfarin.
(S)-WarfarinBiochanin A may decrease the anticoagulant activities of (S)-Warfarin.
3,5-diiodothyropropionic acidThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Biochanin A.
4-hydroxycoumarinBiochanin A may decrease the anticoagulant activities of 4-hydroxycoumarin.
AbaloparatideThe therapeutic efficacy of Abaloparatide can be decreased when used in combination with Biochanin A.
AbciximabBiochanin A may decrease the anticoagulant activities of Abciximab.
AbituzumabBiochanin A may increase the thrombogenic activities of Abituzumab.
AbrilumabBiochanin A may increase the thrombogenic activities of Abrilumab.
AceclofenacAceclofenac may increase the thrombogenic activities of Biochanin A.
AcenocoumarolBiochanin A may decrease the anticoagulant activities of Acenocoumarol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0002338
KEGG Compound
C00814
ChemSpider
4444068
BindingDB
9461
ChEBI
17574
ChEMBL
CHEMBL131921
HET
QSO
Wikipedia
Biochanin_A
PDB Entries
2qyo / 4fj2 / 5jmm

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-03di-2944800000-78e1196ce4a6b5cc510e
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-MSGC-MSsplash10-03di-2944800000-78e1196ce4a6b5cc510e
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-03di-1833900000-f09d96dccb297f00dcd5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-47e7f5888047896fbeab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-0d44debd7dc24705b82a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4970000000-62cdcc296c60a0b9a572
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-47e7f5888047896fbeab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-0d44debd7dc24705b82a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4970000000-62cdcc296c60a0b9a572
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-57c90dbeeae680583b28
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-cfc655e2b327c5f14670
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-3890000000-4aefff84d287041c16e9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-57c90dbeeae680583b28
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-cfc655e2b327c5f14670
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-3890000000-4aefff84d287041c16e9
MS/MS Spectrum - ESI-TOF 40V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 50V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 40V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 50V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , NegativeLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0090000000-f16ba656729184cf1e0c
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0159-0090000000-d1a6e4c18b870bcac1d2
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-02ti-0590000000-c899726b9c15324f3ce1
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-014i-0090000000-79172327cf8e56811028
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0159-0090000000-91ded8897d63ace610fb
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-014i-0090000000-e0007eca7c20b22efffe
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0159-0090000000-664b19eb1fb823665068
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-014r-0190000000-7f6a864949fd18a14e8b
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-03yr-0790000000-5a2ccc494db05b9e19e7
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-014i-0090000000-1469c7dc6efca44dce49
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-0159-0090000000-48950d676f0cb98a7321
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-b86a787abdddcc4cee12
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-7af822b8dad09b0ac6c8
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0udl-0790000000-dfcd1ad0cd74fa25c9c6
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03dl-1940000000-d6a0d7d5a724d4c6e1db
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-044c1c4eb448c746bb3c
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-58e07837f69d383b057c
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-9f9ee2eeb98251688f25
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0fe3-0190000000-c5e36abf786412e0c524
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03dl-0290000000-a8f84ce50fd8ea5a877e
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-000i-0190000000-4337ab19b21cf719a890
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0079-0290000000-dacef9ef84820ca0f71b
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0fki-0390000000-bc80103924dd60e70be7
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0fk9-0590000000-fe80601eb5d69ed0c219
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-026e5787c265af9e291d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0290000000-4ab567e19bebaefb45f4
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0j4l-0960000000-bd77196c14caea302ea1
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0fk9-0490000000-082bc6a9bed9abc2b3a2
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0fe0-0290000000-3152521513cd89ca7350
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0h2u-2790000000-036eabca0dba778d418a
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0390000000-8b4551164bbb2aac939d

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:16 / Updated on May 21, 2019 12:40