acompound

Showing entry for Cyanidin 3-rutinoside

General Compound Information
BXGC Id	BXGC0003857
Compound Name	Cyanidin 3-rutinoside
Structure
Formula	C27H31O15
InchiKey	USNPULRDBDVJAO-FXCAAIILSA-O
SMILES	[H][C@@]1(C)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O
Inchi	InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
IUPAC	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Molecular Weight	595.53
Pubchem Id	441674
Chembl Id	CHEMBL505251

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

CHEMBL505251

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
P45984	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	Activity	-	-	-
P53779	BXGT011014	Mitogen-activated protein kinase 10	reviewed	Kinase	MAPK10	Activity	-	-	-
P45983	BXGT010494	Mitogen-activated protein kinase 8	reviewed	Kinase	MAPK8	Activity	-	-	-
O43521	BXGT004598	Bcl-2-like protein 11	reviewed	-	BCL2L11	Activity	-	-	-
Q16611	BXGT013644	Bcl-2 homologous antagonist/killer	reviewed	Signaling	BAK1	Activity	-	-	-
P53778	BXGT011013	Mitogen-activated protein kinase 12	reviewed	Kinase	MAPK12	Activity	-	-	-
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Activity	-	-	-
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Activity	-	-	-
O15264	BXGT004144	Mitogen-activated protein kinase 13	reviewed	Kinase	MAPK13	Activity	-	-	-
Q07812	BXGT012940	Apoptosis regulator BAX	reviewed	Signaling	BAX	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00128	Passion fruit	Passiflora edulis	Fruits
BXGF00145	Sweet cherry	Prunus avium	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00147	European plum	Prunus domestica	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00154	Garden rhubarb	Rheum rhabarbarum	Vegetables
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00156	Redcurrant	Ribes rubrum	Fruits
BXGF00157	Gooseberry	Ribes uva-crispa	Fruits
BXGF00160	Rubus (Blackberry, Raspberry)	Rubus	Fruits
BXGF00161	Cloudberry	Rubus chamaemorus	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00208	Banana	Musa acuminata	Fruits
BXGF00298	Cassava	Manihot esculenta	Vegetables
BXGF00323	Dock	Rumex	Herbs and Spices
BXGF00353	Java plum	Syzygium cumini	Fruits
BXGF00400	French plantain	Musa X paradisiaca	Fruits
BXGF00409	Rose hip	Rosa	Herbs and Spices
BXGF00519	Wheat	Triticum	Cereals and cereal products
BXGF00530	Cinnamon	Cinnamomum	Herbs and Spices
BXGF00914	Vernonia steetziana	Vernonia steetziana	Others
BXGF00984	Rubus glaucus	Rubus glaucus	Medicinal Plant
BXGF01053	Allium rosenorum	Allium rosenorum	Medicinal Plant
BXGF01069	Ratibida mexicana	Ratibida mexicana	Medicinal Plant
BXGF01270	Peltogyne porphyrocardia	Peltogyne porphyrocardia	Others
BXGF01552	Garcinia xipshuanbannaensis	Garcinia xipshuanbannaensis	Human Edible Plant
BXGF01751	Caulerpa serrulata	Caulerpa serrulata	Human Edible Plant
BXGF01784	Leonurus persicus	Leonurus persicus	Medicinal Plant
BXGF01810	Delphinium shawurense	Delphinium shawurense	Others
BXGF01882	Lathyrus nissolia	Lathyrus nissolia	Medicinal Plant
BXGF01977	Gutierrezia lucida	Gutierrezia lucida	Others
BXGF01994	Helichrysum graveolens	Helichrysum graveolens	Others
BXGF02042	Magnolia sieboldii	Magnolia sieboldii	Medicinal Plant
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF02786	Rubus coreanus	Rubus coreanus	Human Edible Plant
BXGF03106	Lythrum salicaria	Lythrum salicaria	Medicinal Plant
BXGF03853	Aconitum violaceum	Aconitum violaceum	Medicinal Plant
BXGF03885	Abutilon indicum	Abutilon indicum	Medicinal Plant
BXGF04235	Rubus chingii	Rubus chingii	Food Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05160	Chaenomeles speciosa	Chaenomeles speciosa	Medicinal Plant
BXGF05288	Fagraea gracilipes	Fagraea gracilipes	Human Edible Plant
BXGF05338	Persicaria thunbergii	Persicaria thunbergii	Medicinal Plant
BXGF05629	Iryanthera paraensis	Iryanthera paraensis	Human Edible Plant
BXGF06118	Panopsis rubescens	Panopsis rubescens	Others
BXGF06141	Haloxylon persicum	Haloxylon persicum	Others
BXGF06302	Pinus brutia var. eldarica	Pinus brutia var. eldarica	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}