acompound

Showing entry for Tormentic Acid Methyl Ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034610
Compound Name	Tormentic Acid Methyl Ester
Structure
Formula	C31H50O5
InchiKey	RQWXHGLRDYGNGZ-BPKREVGBSA-N
SMILES	COC(=O)[C@@]12CC[C@H]([C@@]([C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)C[C@H]([C@@H](C1(C)C)O)O)(C)O)C
Inchi	InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1
IUPAC	methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Weight	502.37
Pubchem Id	14314585
Chembl Id	CHEMBL600614

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

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	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed		HSD11B1	-	9400	-	-

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
P80365	BXGT011895	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	Enzyme	HSD11B2	Activity	-	-	-
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	IC50	'='	9400	nM
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF01959	Cissus quinquefolia	Cissus quinquefolia	Others
BXGF02711	Ligularia dentata	Ligularia dentata	Medicinal Plant
BXGF04278	Casimiroa tetrameria	Casimiroa tetrameria	Medicinal Plant
BXGF05169	Senecio sinuatus	Senecio sinuatus	Others
BXGF05348	Colchicum speciosum	Colchicum speciosum	Others
BXGF05831	Rosa laevigata	Rosa laevigata	Medicinal Plant
BXGF06213	Heliomeris multiflora	Heliomeris multiflora	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}