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Isoschaftoside

CAT: 1410-M24493-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M24493-05Size:25 mg
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Description
Isoschaftoside is used as an intercrop due to its allelopathic inhibition of parasitism by Striga hermonthica, an obligate parasitic weed that can devastate the maize crop.
CAS Number
52012-29-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
564.5
Molecular Formula
C26H28O14
Notes
Research use only, not for human use.
Receptor
Anti-infection

Chemical Information

Isoschaftoside

Isoschaftoside is a C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. It has a role as a metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin.

CAS Number52012-29-0
PubChem CID3084995
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Molecular FormulaC26H28O14
Molecular Weight564.5
XLogP-2.2
Topological Polar Surface Area247
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity938
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
OVMFOVNOXASTPA-VYUBKLCTSA-N
Chemical Structure
2D Structure
2D structure of Isoschaftoside
CAS: 52012-29-0
CID: 3084995
Formula: C26H28O14
MW: 564.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.5
XLogP3-2.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass564.14790556
Monoisotopic Mass564.14790556
Topological Polar Surface Area247 Ų
Heavy Atom Count40
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB0717Isoschaftoside
HY-N1458RIsoschaftoside (Standard)
371608Isoschaftoside discontinued

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