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Anagyroidisoflavone A

CAT: 0804-HY-N1634Size: 1 EachDry Ice: NoHazardous: No
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Description
Anagyroidisoflavone A is an isoflavones isolated from pods of laburnum anagyroides[1][2].
CAS Number
221002-11-5
Product Name Alternative
(±) -1''-O-Methylerythrinin F
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/anagyroidisoflavone-a.html
Solubility
10 mM in DMSO
Smiles
O=C1C(C2=CC=C(O)C=C2)=COC3=CC(OC(C(C)(C)O)C4OC)=C4C(O)=C13
Molecular Formula
C21H20O7
Molecular Weight
384.38
References & Citations
[1]Sato H, et, al. Isoflavones from pods of laburnum anagyroides. Phytochemistry. Volume 39, Issue 3, June 1995, Pages 673-676.|[2]Wang F, et al. New isoflavonoids from Erythrina arborescens and structure revision of anagyroidisoflavone A. Nat Prod Bioprospect. 2013 Oct 14;3 (5) :238-42.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1''-Methoxyerythrinin C
CAS Number221002-11-5
PubChem CID92030426
IUPAC Name4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular FormulaC21H20O7
Molecular Weight384.4
XLogP2.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
CC(C)(C1C(C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)OC)O
InChI
InChI=1S/C21H20O7/c1-21(2,25)20-19(26-3)16-14(28-20)8-13-15(18(16)24)17(23)12(9-27-13)10-4-6-11(22)7-5-10/h4-9,19-20,22,24-25H,1-3H3
InChIKey
RAFBVESTDOVORR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1''-Methoxyerythrinin C
CAS: 221002-11-5
CID: 92030426
Formula: C21H20O7
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass384.12090297
Monoisotopic Mass384.12090297
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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