acompound

Showing entry for Asiatic Acid

General Compound Information
BXGC Id	BXGC0035122
Compound Name	Asiatic Acid
Structure
Formula	C30H48O5
InchiKey	JXSVIVRDWWRQRT-UYDOISQJSA-N
SMILES	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C
Inchi	InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	488.35
Pubchem Id	119034
Chembl Id	CHEMBL404313

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

0AS

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
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	PYGM	-	-	-	-	-

Binding DB

50241487

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>20000	-	-
reviewed	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	>20000	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	17000	-	-
reviewed	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	-	-	-	>10000
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	34000	-	-
reviewed	BXGT004858	Aldo-keto reductase family 1 member B10	reviewed	Enzyme	AKR1B10	-	5900	-	-

CHEMBL

CHEMBL404313

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
O60218	BXGT004858	Aldo-keto reductase family 1 member B10	reviewed	Enzyme	AKR1B10	IC50	'='	5900	nM
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	Efficacy	'='	7	%
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'>'	20000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	20000	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	17000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	3	%
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	16982	nM
P19357	BXGT008475	Solute carrier family 2, facilitated glucose transporter member 4	reviewed	-	Slc2a4	FC	'='	0	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-8	%
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	EC50	'='	0	nM
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	EC50	'>'	10000	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	34000	nM
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	IC50	'>'	200000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF01138	Tulipa sylvestris	Tulipa sylvestris	Human Edible Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01439	Xylosalsola richteri	Xylosalsola richteri	Others
BXGF01651	Pedicularis plicata	Pedicularis plicata	Others
BXGF01672	Zanthoxylum brachyacanthum	Zanthoxylum brachyacanthum	Medicinal Plant
BXGF01735	Sonchus gummifer	Sonchus gummifer	Others
BXGF01800	Salvia palaestina	Salvia palaestina	Others
BXGF01807	Ficus sarmentosa var. thunbergii	Ficus sarmentosa var. thunbergii	Human Edible Plant
BXGF02020	Stephania hispidula	Stephania hispidula	Others
BXGF02168	Micranthes stellaris	Micranthes stellaris	Others
BXGF02170	Berberis brandisiana	Berberis brandisiana	Others
BXGF02304	Rabdosia flexicaulis	Rabdosia flexicaulis	Others
BXGF02307	Diospyros verrucosa	Diospyros verrucosa	Human Edible Plant
BXGF02355	Baccharis sarothroides	Baccharis sarothroides	Others
BXGF02416	Melaleuca genistifolia	Melaleuca genistifolia	Others
BXGF02458	Ipomoea hederacea	Ipomoea hederacea	Medicinal Plant
BXGF02512	Rabdosia excisa	Rabdosia excisa	Medicinal Plant
BXGF02535	Andropogon laniger	Andropogon laniger	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF02743	Malus sieboldii	Malus sieboldii	Medicinal Plant
BXGF02780	Eria robusta	Eria robusta	Others
BXGF02835	Oxytropis pseudoglandulosa	Oxytropis pseudoglandulosa	Others
BXGF02945	Pyracantha coccinea	Pyracantha coccinea	Medicinal Plant
BXGF03020	Ilex cornuta	Ilex cornuta	Medicinal Plant
BXGF03030	Erythrina sacleuxii	Erythrina sacleuxii	Others
BXGF03072	Athanasia crithmifolia	Athanasia crithmifolia	Others
BXGF03364	Astragalus asper	Astragalus asper	Others
BXGF03406	Daphne lancifolia	Daphne lancifolia	Others
BXGF03412	Perovskia abrotanoides	Perovskia abrotanoides	Medicinal Plant
BXGF03628	Dioscorea althaeoides	Dioscorea althaeoides	Medicinal Plant
BXGF03692	Gardneria insularis	Gardneria insularis	Others
BXGF03724	Scilla maritima	Scilla maritima	Medicinal Plant
BXGF03746	Osteophloeum platyspermum	Osteophloeum platyspermum	Others
BXGF03798	Glycyrrhiza lepidota	Glycyrrhiza lepidota	Medicinal Plant
BXGF03820	Artemisia tournefortiana	Artemisia tournefortiana	Others
BXGF03977	Magnolia sprengeri	Magnolia sprengeri	Medicinal Plant
BXGF03993	Aulacomnium androgynum	Aulacomnium androgynum	Medicinal Plant
BXGF04012	Valeriana fedtschenkoi	Valeriana fedtschenkoi	Others
BXGF04044	Cosmos pringlei	Cosmos pringlei	Others
BXGF04059	Taraxacum bicorne	Taraxacum bicorne	Others
BXGF04068	Albertisia papuana	Albertisia papuana	Human Edible Plant
BXGF04076	Tetraneuris acaulis	Tetraneuris acaulis	Others
BXGF04077	Cordia curassavica	Cordia curassavica	Medicinal Plant
BXGF04117	Lafoensia glyptocarpa	Lafoensia glyptocarpa	Others
BXGF04385	Vatica cinerea	Vatica cinerea	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
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
BXGF04847	Ficus cordata subsp. salicifolia	Ficus cordata subsp. salicifolia	Medicinal Plant
BXGF04948	Combretum quadrangulare	Combretum quadrangulare	Medicinal Plant
BXGF04988	Xyris semifuscata	Xyris semifuscata	Others
BXGF05216	Lonchocarpus orotinus	Lonchocarpus orotinus	Others
BXGF05281	Fritillaria thunbergii	Fritillaria thunbergii	Medicinal Plant
BXGF05355	Plectranthus sylvestris	Plectranthus sylvestris	Medicinal Plant
BXGF05391	Derris uliginosa	Derris uliginosa	Medicinal Plant
BXGF05460	Bryum weigelii	Bryum weigelii	Others
BXGF05534	Walsura chrysogyne	Walsura chrysogyne	Others
BXGF05595	Dahlstedtia araripensis	Dahlstedtia araripensis	Others
BXGF05625	Jacobaea subalpina	Jacobaea subalpina	Others
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	Medicinal Plant
BXGF06184	Plantago cornuti	Plantago cornuti	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}