acompound

General Compound Information
BXGC Id	BXGC0036630
Compound Name	3beta,27-Dihydroxyurs-12-ene-28-oic acid
Structure
Formula	C30H48O4
InchiKey	YBQHMGFOAOJZCG-PDGODTHUSA-N
SMILES	OC[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)[C@@H](C)[C@@H](CC3)C)C(=O)O
Inchi	InChI=1S/C30H48O4/c1-18-9-14-29(25(33)34)15-16-30(17-31)20(24(29)19(18)2)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21+,22-,23+,24+,27+,28-,29+,30+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-(hydroxymethyl)-1,2,6b,9,9,12a-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	44583858
Chembl Id	CHEMBL524080

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

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
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF01536	Veronica pectinata	Veronica pectinata	Others
BXGF01592	Plantago lanceolata	Plantago lanceolata	Medicinal Plant
BXGF02073	Tripodanthus acutifolius	Tripodanthus acutifolius	Medicinal Plant
BXGF02177	Croton rhamnifolius	Croton rhamnifolius	Others
BXGF03025	Scutellaria seleriana	Scutellaria seleriana	Others
BXGF03643	Cytisus scoparius	Cytisus scoparius	Medicinal Plant
BXGF03680	Aconitum brevicalcaratum	Aconitum brevicalcaratum	Others
BXGF03972	Crinum kirkii	Crinum kirkii	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04424	Hypericum triquetrifolium	Hypericum triquetrifolium	Medicinal Plant
BXGF05006	Ammodendron conollyi	Ammodendron conollyi	Others
BXGF05105	Cirsium dipsacolepis	Cirsium dipsacolepis	Medicinal Plant
BXGF05132	Mesembryanthemum anatomicum	Mesembryanthemum anatomicum	Medicinal Plant
BXGF05180	Malva sylvestris	Malva sylvestris	Medicinal Plant
BXGF05246	Viguiera annua	Viguiera annua	Others
BXGF05568	Eria subsessilis	Eria subsessilis	Others
BXGF05635	Cocculus diversifolius	Cocculus diversifolius	Others
BXGF05664	Myrica multiflora	Myrica multiflora	Medicinal Plant
BXGF05716	Trifolium apertum	Trifolium apertum	Others
BXGF05757	Solanum racemigerum	Solanum racemigerum	Others
BXGF05789	Teucrium pestalozzae	Teucrium pestalozzae	Others
BXGF06028	Knightia deplanchei	Knightia deplanchei	Others
BXGF06104	Ptilidium ciliare	Ptilidium ciliare	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}