acompound

Showing entry for isorhamnetin 3-O-(6"-O-p-coumaroyl)-glucoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028748
Compound Name	isorhamnetin 3-O-(6"-O-p-coumaroyl)-glucoside
Structure
Formula	C31H28O14
InchiKey	TVMGLJJYKIHJNJ-SETHOQODSA-N
SMILES	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)34)29-30(26(38)24-19(35)11-17(33)12-21(24)43-29)45-31-28(40)27(39)25(37)22(44-31)13-42-23(36)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-4+/t22-,25-,27+,28-,31+/m1/s1
IUPAC	[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	624.15
Pubchem Id	44429737
Chembl Id	CHEMBL233903

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	21	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00900	Melaleuca cuticularis	Melaleuca cuticularis	Others
BXGF03184	Sasa paniculata	Sasa paniculata	Others
BXGF03223	Sedum forsteri	Sedum forsteri	Medicinal Plant
BXGF03258	Populus angustifolia	Populus angustifolia	Medicinal Plant
BXGF03413	Lasiosiphon kraussianus	Lasiosiphon kraussianus	Others
BXGF03443	Morinda morindoides	Morinda morindoides	Human Edible Plant
BXGF04325	Baphia bancoensis	Baphia bancoensis	Others
BXGF04759	Calendula officinalis	Calendula officinalis	Medicinal Plant
BXGF05459	Vachellia pennatula	Vachellia pennatula	Medicinal Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF06301	Oricia gabonensis	Oricia gabonensis	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}