acompound

Showing entry for 3-Epimaslinic Acid

General Compound Information
BXGC Id	BXGC0047138
Compound Name	3-Epimaslinic Acid
Structure
Formula	C30H48O4
InchiKey	MDZKJHQSJHYOHJ-HFYZCPLSSA-N
SMILES	O[C@@H]1C[C@@]2(C)[C@H](C([C@@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C
Inchi	InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	472.36
Pubchem Id	25564831
Chembl Id	CHEMBL383749

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

50175873

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	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	144000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	14330	-	-

CHEMBL

CHEMBL383749

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
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	144000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	14330	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	-	-	-
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	144543	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00959	Artemisia hanseniana	Artemisia hanseniana	Others
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF01159	Kopsia grandifolia	Kopsia grandifolia	Others
BXGF01281	Ledebouria socialis	Ledebouria socialis	Others
BXGF01361	Lycopus europaeus	Lycopus europaeus	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01400	Dipterocarpus dyeri	Dipterocarpus dyeri	Others
BXGF01481	Glycine falcata	Glycine falcata	Others
BXGF01518	Ipomoea cairica	Ipomoea cairica	Medicinal Plant
BXGF01699	Ceanothus velutinus	Ceanothus velutinus	Medicinal Plant
BXGF01732	Garcinia scortechinii	Garcinia scortechinii	Others
BXGF01756	Apollonias barbujana	Apollonias barbujana	Others
BXGF01781	Chlorophytum borivilianum	Chlorophytum borivilianum	Medicinal Plant
BXGF02307	Diospyros verrucosa	Diospyros verrucosa	Human Edible Plant
BXGF02316	Isodon lophanthoides	Isodon lophanthoides	Medicinal Plant
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF02596	Fragaria vesca	Fragaria vesca	Medicinal Plant
BXGF03072	Athanasia crithmifolia	Athanasia crithmifolia	Others
BXGF03090	Lasianthus fordii	Lasianthus fordii	Others
BXGF03412	Perovskia abrotanoides	Perovskia abrotanoides	Medicinal Plant
BXGF03539	Picradeniopsis pringlei	Picradeniopsis pringlei	Others
BXGF04076	Tetraneuris acaulis	Tetraneuris acaulis	Others
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
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
BXGF05096	Aconitum leucostomum	Aconitum leucostomum	Medicinal Plant
BXGF05200	Aquilegia ecalcarata	Aquilegia ecalcarata	Medicinal Plant
BXGF05316	Persea mexicana	Persea mexicana	Others
BXGF05621	Agathosma thymifolia	Agathosma thymifolia	Others
BXGF05625	Jacobaea subalpina	Jacobaea subalpina	Others
BXGF05767	Gardenia tubifera	Gardenia tubifera	Medicinal Plant
BXGF05845	Panax innovans	Panax innovans	Others
BXGF05956	Blumea mollis	Blumea mollis	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	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}