acompound

Showing entry for 23-Hydroxyursolic Acid

General Compound Information
BXGC Id	BXGC0048406
Compound Name	23-Hydroxyursolic Acid
Structure
Formula	C30H48O4
InchiKey	NZCULBURCGAPSF-PQWKYGPVSA-N
SMILES	OC[C@]1(C)[C@@H](O)CC[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/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-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	472.36
Pubchem Id	14136881
Chembl Id	CHEMBL523622

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

50250341

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	BXGT005069	Sterol O-acyltransferase 1	reviewed		Soat1	-	64000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	7400	-	-

CHEMBL

CHEMBL523622

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
O70536	BXGT005069	Sterol O-acyltransferase 1	reviewed	-	Soat1	IC50	'='	64000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	7400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF01138	Tulipa sylvestris	Tulipa sylvestris	Human Edible Plant
BXGF01522	Orobanche speciosa	Orobanche speciosa	Others
BXGF01763	Kadsura interior	Kadsura interior	Medicinal Plant
BXGF01785	Campsis radicans	Campsis radicans	Medicinal Plant
BXGF01800	Salvia palaestina	Salvia palaestina	Others
BXGF01946	Asparagus africanus	Asparagus africanus	Medicinal Plant
BXGF02188	Penstemon newberryi	Penstemon newberryi	Others
BXGF02639	Rhododendron ferrugineum	Rhododendron ferrugineum	Human Edible Plant
BXGF02931	Solanum chilense	Solanum chilense	Others
BXGF03020	Ilex cornuta	Ilex cornuta	Medicinal Plant
BXGF03048	Campsis grandiflora	Campsis grandiflora	Medicinal Plant
BXGF03833	Cussonia bancoensis	Cussonia bancoensis	Others
BXGF04204	Viburnum ayavacense	Viburnum ayavacense	Others
BXGF04266	Artemisia umbelliformis	Artemisia umbelliformis	Medicinal Plant
BXGF04385	Vatica cinerea	Vatica cinerea	Others
BXGF04998	Rhododendron brachycarpum	Rhododendron brachycarpum	Medicinal Plant
BXGF05142	Salix japonica	Salix japonica	Medicinal Plant
BXGF05281	Fritillaria thunbergii	Fritillaria thunbergii	Medicinal Plant
BXGF05310	Onopordum anatolicum	Onopordum anatolicum	Medicinal Plant
BXGF05355	Plectranthus sylvestris	Plectranthus sylvestris	Medicinal Plant
BXGF05382	Lagerstroemia speciosa	Lagerstroemia speciosa	Medicinal Plant
BXGF05460	Bryum weigelii	Bryum weigelii	Others
BXGF05534	Walsura chrysogyne	Walsura chrysogyne	Others
BXGF05663	Juglans sinensis	Juglans sinensis	Medicinal Plant
BXGF06184	Plantago cornuti	Plantago cornuti	Medicinal Plant
BXGF06220	Tiliacora triandra	Tiliacora triandra	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}