acompound

Showing entry for Chlorogenic Acid Methyl Ester

General Compound Information
BXGC Id	BXGC0039560
Compound Name	Chlorogenic Acid Methyl Ester
Structure
Formula	C17H20O9
InchiKey	MZNIJRAPCCELQX-AWOKGZDASA-N
SMILES	COC(=O)[C@]1(O)C[C@@H](O)[C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)O
Inchi	InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
IUPAC	methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
Molecular Weight	368.11
Pubchem Id	6476139
Chembl Id	CHEMBL416955

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

50343049

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
reviewed	BXGT007127	Ribonuclease HI	reviewed		rnhA	-	>20000	-	-
reviewed	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	64190	-	-
reviewed	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	-	58810	-	-

CHEMBL

CHEMBL416955

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
P0A7Y4	BXGT007127	Ribonuclease HI	reviewed	-	rnhA	IC50	'>'	20000	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	IC50	'>'	100000	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF01036	Sargentodoxa cuneata	Sargentodoxa cuneata	Medicinal Plant
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF02137	Goniothalamus amuyon	Goniothalamus amuyon	Medicinal Plant
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02393	Lonicera macranthoides	Lonicera macranthoides	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03178	Cryptocarya alba	Cryptocarya alba	Human Edible Plant
BXGF03240	Lonicera hypoglauca	Lonicera hypoglauca	Medicinal Plant
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF03832	Alangium grisolleoides	Alangium grisolleoides	Others
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF04345	Uvaria griffithii	Uvaria griffithii	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05034	erycibe hainanesis	erycibe hainanesis	Others
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05304	Lonicera confusa	Lonicera confusa	Medicinal Plant
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05696	Zephyranthes sulphurea	Zephyranthes sulphurea	Others
BXGF05746	Atalantia wightii	Atalantia wightii	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}