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Chemical structure of Orientin-2''-O-p-trans-coumarate

GC36813

Orientin-2''-O-p-trans-coumarate

Also known as [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Orientin-2''-O-p-trans-coumarate is a flavonoid found in Trigonella foenum-graecum, with potent antioxidant activity

ChemicalCAS1229437-75-5MW594.52FormulaC30H26O13
CAS number
1229437-75-5
Molecular weight
594.52
Formula
C30H26O13
Solubility
DMSO ： 100 mg/mL (168·20 mM; Need ultrasonic)
InChIKey
XIKYOEXOYRWIOU-HJBGGDBQSA-N
Catalogue number
GC36813
Brand
GLPBIO
Computed properties PubChem CID 102004864 · XLogP 2.2 · TPSA 224 Ų · H-bond donors 8
XLogP
2.2
TPSA
224 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
43

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)O)CO)O)O)O

Computed descriptors from PubChem (CID 102004864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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