acompound

Showing entry for 3,5-dicaffeoylquinic acid

General Compound Information
BXGC Id	BXGC0027637
Compound Name	3,5-dicaffeoylquinic acid
Structure
Formula	C25H24O12
InchiKey	KRZBCHWVBQOTNZ-RDJMKVHDSA-N
SMILES	O=C(O[C@@H]1CC(O)(C[C@H](C1O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
IUPAC	(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
Molecular Weight	516.13
Pubchem Id	6474310
Chembl Id	CHEMBL4289566

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

CHEMBL4289566

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
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	1277000	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	1258925	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01009	Dipsacus asper	Dipsacus asper	Others
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01358	Erycibe schmidtii	Erycibe schmidtii	Medicinal Plant
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02198	Cuscuta chinensis	Cuscuta chinensis	Medicinal Plant
BXGF02251	Pyrrosia lingua	Pyrrosia lingua	Medicinal Plant
BXGF02262	Pyrrosia tricuspis	Pyrrosia tricuspis	Others
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF02393	Lonicera macranthoides	Lonicera macranthoides	Medicinal Plant
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03240	Lonicera hypoglauca	Lonicera hypoglauca	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03762	Pyrrosia petiolosa	Pyrrosia petiolosa	Medicinal Plant
BXGF03769	Artemisia iwayomogi	Artemisia iwayomogi	Others
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04321	Eupatorium rebaudianum	Eupatorium rebaudianum	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04711	Cuscuta australis	Cuscuta australis	Medicinal Plant
BXGF04713	Aster tataricus	Aster tataricus	Medicinal Plant
BXGF04856	Erycibe obtusifolia	Erycibe obtusifolia	Medicinal Plant
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05204	Erigeron breviscapus	Erigeron breviscapus	Medicinal Plant
BXGF05304	Lonicera confusa	Lonicera confusa	Medicinal Plant
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF06108	Centipeda minima	Centipeda minima	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant

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}