acompound

Showing entry for Aescultitannin B

General Compound Information
BXGC Id	BXGC0050132
Compound Name	Aescultitannin B
Structure
Formula	C45H36O18
InchiKey	BYSRPHRKESMCPO-XDJXAWJCSA-N
SMILES	Oc1cc(O)c2c(c1)O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H](c2ccc(c(c2)O)O)[C@@H]([C@H]1c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,4
IUPAC
Molecular Weight	864.19
Pubchem Id	10010849
Chembl Id	CHEMBL1213875

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

50447857

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	BXGT008901	Sucrase-isomaltase, intestinal	reviewed		Si	-	400000	-	-

CHEMBL

CHEMBL1213875

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
P23739	BXGT008901	Sucrase-isomaltase, intestinal	reviewed	-	Si	Inhibition	'='	66	%
P23739	BXGT008901	Sucrase-isomaltase, intestinal	reviewed	-	Si	IC50	'='	400000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00980	Parameria laevigata	Parameria laevigata	Medicinal Plant
BXGF00989	Asteriscus aquaticus	Asteriscus aquaticus	Others
BXGF01018	Cinnamomum subavenium	Cinnamomum subavenium	Medicinal Plant
BXGF01102	Pseudowintera colorata	Pseudowintera colorata	Others
BXGF01180	Phebalium dentatum	Phebalium dentatum	Others
BXGF01217	Ecballium elaterium	Ecballium elaterium	Medicinal Plant
BXGF01242	Capparis ovata	Capparis ovata	Medicinal Plant
BXGF01244	Croton montevidensis	Croton montevidensis	Others
BXGF01327	Datisca glomerata	Datisca glomerata	Others
BXGF01378	Quercus imbricaria	Quercus imbricaria	Medicinal Plant
BXGF01409	Dioscorea olfersiana	Dioscorea olfersiana	Human Edible Plant
BXGF01444	Cassine papillosa	Cassine papillosa	Human Edible Plant
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF03051	Phyllanthus oligospermus	Phyllanthus oligospermus	Others
BXGF04153	Solanum andigena	Solanum andigena	Others
BXGF05078	Alstonia undulifolia	Alstonia undulifolia	Others
BXGF05143	Scrophularia koelzii	Scrophularia koelzii	Medicinal Plant
BXGF05225	Betula platyphylla	Betula platyphylla	Medicinal Plant
BXGF05283	Polygonum flaccidum	Polygonum flaccidum	Medicinal Plant
BXGF05378	Hubertia tomentosa	Hubertia tomentosa	Others
BXGF05453	Ligustrum obtusifolium	Ligustrum obtusifolium	Medicinal Plant
BXGF05541	Helichrysum auriceps	Helichrysum auriceps	Others
BXGF05871	Fagus fusca	Fagus fusca	Others
BXGF05889	Spiracantha cornifolia	Spiracantha cornifolia	Others
BXGF05952	Tylophora tanakae	Tylophora tanakae	Others
BXGF06031	Myristica cagayanensis	Myristica cagayanensis	Others
BXGF06236	Charpentiera obovata	Charpentiera obovata	Others
BXGF06270	Lotus ucrainicus	Lotus ucrainicus	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}