acompound

Showing entry for 1,5-Dicaffeoylquinic acid

General Compound Information
BXGC Id	BXGC0001004
Compound Name	1,5-Dicaffeoylquinic acid
Structure
Formula	C25H24O12
InchiKey	YDDUMTOHNYZQPO-RVXRWRFUSA-N
SMILES	O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1O)(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O
Inchi	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
IUPAC	(1R,3R,4S,5R)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid
Molecular Weight	516.45
Pubchem Id	5281769
Chembl Id	CHEMBL487258

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

CHEMBL487258

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
P42224	BXGT010286	Signal transducer and activator of transcription 1-alpha/beta	reviewed	Nucleic acid binding	STAT1	Inhibition	'='	4	%
P24298	BXGT008960	Alanine aminotransferase 1	reviewed	Enzyme	GPT	Activity	'='	103	U/L
P9WH09	BXGT012284	dTDP-4-dehydrorhamnose reductase	reviewed	-	rmlD	Inhibition	-	-	-
P24298	BXGT008960	Alanine aminotransferase 1	reviewed	Enzyme	GPT	Activity	'='	110	U/L
P12931	BXGT007859	Proto-oncogene tyrosine-protein kinase Src	reviewed	Kinase	SRC	Inhibition	'='	7	%
P51692	BXGT010885	Signal transducer and activator of transcription 5B	reviewed	Nucleic acid binding	STAT5B	Inhibition	'='	-1	%
P06239	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	Inhibition	'='	12	%
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	'='	7	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	1600	nM
Q64133	BXGT016109	Amine oxidase [flavin-containing] A	reviewed	-	Maoa	Activity	-	-	-
Q8BW75	BXGT017924	Amine oxidase [flavin-containing] B	reviewed	-	Maob	Activity	-	-	-
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'>'	20	%

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
BXGF00071	Globe artichoke	Cynara scolymus	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00294	Cardoon	Cynara cardunculus	Vegetables
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01910	Trachelospermum asiaticum	Trachelospermum asiaticum	Medicinal Plant
BXGF02000	Dalea elegans	Dalea elegans	Others
BXGF02307	Diospyros verrucosa	Diospyros verrucosa	Human Edible Plant
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02551	Inula britannica	Inula britannica	Medicinal Plant
BXGF02649	Merendera sobolifera	Merendera sobolifera	Others
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF03072	Athanasia crithmifolia	Athanasia crithmifolia	Others
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03412	Perovskia abrotanoides	Perovskia abrotanoides	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04076	Tetraneuris acaulis	Tetraneuris acaulis	Others
BXGF04522	Cardamine pinnata	Cardamine pinnata	Others
BXGF04524	Codonocarpus australis	Codonocarpus australis	Others
BXGF04531	Schizonepeta multifida	Schizonepeta multifida	Others
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF04546	Quercus serrata	Quercus serrata	Medicinal Plant
BXGF04551	Crateva nurvala	Crateva nurvala	Human Edible Plant
BXGF04567	Polygala amara	Polygala amara	Medicinal Plant
BXGF04574	Stephania sutchuenensis	Stephania sutchuenensis	Others
BXGF04583	Unonopsis glaucopetala	Unonopsis glaucopetala	Others
BXGF04609	Rubus rosa	Rubus rosa	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04616	Pleogyne cunninghamii	Pleogyne cunninghamii	Others
BXGF04626	Pyrola decorata	Pyrola decorata	Medicinal Plant
BXGF04633	Pleogyne cunninghami	Pleogyne cunninghami	Others
BXGF04639	Euonymus nanoides	Euonymus nanoides	Others
BXGF04667	Cerbera dilatata	Cerbera dilatata	Others
BXGF04674	Achillea clypeolata	Achillea clypeolata	Others
BXGF04679	Bridelia ferruginea	Bridelia ferruginea	Medicinal Plant
BXGF04692	Berberis julianae	Berberis julianae	Medicinal Plant
BXGF04695	Zieria smithii	Zieria smithii	Others
BXGF04701	Bystropogon origanifolius	Bystropogon origanifolius	Others
BXGF05204	Erigeron breviscapus	Erigeron breviscapus	Medicinal Plant
BXGF05516	Psorothamnus spinosus	Psorothamnus spinosus	Others
BXGF05625	Jacobaea subalpina	Jacobaea subalpina	Others
BXGF06156	Inula japonica	Inula japonica	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}