Astragalus Metabolite 5

CAT: 1596-AR-A07240-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07240-01Size:10 Units

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CAS Number

1891-01-6

Molecular Formula

C17H14O5

Molecular Weight

298.29

API Name

Astragalus

Chemical Information

2'-Methoxyformonetin

2'-Methoxyformonetin is a methoxyisoflavone.

CAS Number	1891-01-6
PubChem CID	5781145
IUPAC Name	3-(2,4-dimethoxyphenyl)-7-hydroxychromen-4-one
Molecular Formula	C17H14O5
Molecular Weight	298.29
XLogP	2.8
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	446

SMILES

COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC

InChI

InChI=1S/C17H14O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-9,18H,1-2H3

InChIKey

SSRCYGATNWFTBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1891-01-6

CID: 5781145

Formula: C17H14O5

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	298.08412354
Monoisotopic Mass	298.08412354
Topological Polar Surface Area	65 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	446
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A07244-01	Astragalus Metabolite 9
AR-A07239-01	Astragalus Metabolite 4
AR-A07236-01	Astragalus Metabolite 1
AR-A07241-01	Astragalus Metabolite 6
AR-A07237-01	Astragalus Metabolite 2
AR-A07243-01	Astragalus Metabolite 8 (Cladrin)
AR-A07238-01	Astragalus Metabolite 3 (Texasin)
AR-A07242-01	Astragalus Metabolite 7 (Afromosin)
AR-R01753-01	Rivaroxaban Metabolite 5
AR-A02000-01	Amlodipine Metabolite 5

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