Isoschaftoside

CAT: 0931-T3897-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T3897-01Size:1 mg

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CAS Number

52012-29-0

Target

P62, Anti-infection, Parasite, Autophagy, ROS, Antifungal

Related Pathways

Autophagy, Microbiology/Virology, Immunology/Inflammation

Purity

0.9996

Bioactivity

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. Isoschaftoside has anti-tumor, antioxidant, and antimicrobial activities, it also possesses strong nematicidal activity against M. incognita.

Smiles

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)cc1

Molecular Formula

C26H28O14

Molecular Weight

564.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	52012-29-0
PubChem CID	3084995
IUPAC Name	5,7-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 Formula	C26H28O14
Molecular Weight	564.5
XLogP	-2.2
Topological Polar Surface Area	247
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Heavy Atom Count	40
Formal Charge	0
Complexity	938

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

CAS: 52012-29-0

CID: 3084995

Formula: C26H28O14

MW: 564.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	564.5
XLogP3	-2.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Exact Mass	564.14790556
Monoisotopic Mass	564.14790556
Topological Polar Surface Area	247 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	938
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
AB0717	Isoschaftoside
HY-N1458R	Isoschaftoside (Standard)
371608	Isoschaftoside discontinued

Isoschaftoside

Chemical Information

Alternative Products

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