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Vitexin2''-O-p-coumarate

CAT: 0804-HY-N2203-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2203-01Size:1 mg
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Description
Vitexin2''-O-p-coumarate is isolated from fenugreek seeds. Vitexin2''-O-p-coumarate strongly promotes 2BS cell proliferation induced by H2O2[1][2].
CAS Number
59282-55-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/vitexin2-o-p-coumarate.html
Solubility
10 mM in DMSO
Smiles
OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=CC2=O)=C1[C@H](O[C@H](CO)[C@@H](O)[C@@H]4O)[C@@H]4OC(/C=C/C5=CC=C(O)C=C5)=O
Molecular Formula
C30H26O12
Molecular Weight
578.52
References & Citations
[1]Wang GR, et al. New flavonoids with 2BS cell proliferation promoting effect from the seeds of Trigonella foenum-graecum L. J Nat Med. 2010 Jul;64 (3) :358-61.|[2]S.I. Al-Sultan, et al. Effect of Aqueous Extract of Fenugreek (Trigonella foenum-graecum L.) On Selected Biochemical and Oxidative Stress Biomarkers in Rats Intoxicated with Carbon Tetrachloride. International Journal of Pharmacology, 11: 43-49.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Vitexin 2''-O-p-coumarate

FJGOEBQRHWKKJH-HORBVDEJSA-N has been reported in Trigonella foenum-graecum with data available.

CAS Number59282-55-2
PubChem CID101422334
IUPAC Name[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC30H26O12
Molecular Weight578.5
XLogP2.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O
InChI
InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+/t22-,26-,27+,29+,30-/m1/s1
InChIKey
FJGOEBQRHWKKJH-HORBVDEJSA-N
Chemical Structure
2D Structure
2D structure of Vitexin 2''-O-p-coumarate
CAS: 59282-55-2
CID: 101422334
Formula: C30H26O12
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP32.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass578.14242626
Monoisotopic Mass578.14242626
Topological Polar Surface Area203 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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