acompound

Showing entry for Sarcrassin E

General Compound Information
BXGC Id	BXGC0029282
Compound Name	Sarcrassin E
Structure
Formula	C21H28O5
InchiKey	SSRWHVBVQPAITB-WYLCAHHTSA-N
SMILES	COC(=O)/C/1=C/C=C(\CCC2=CCC[C@](C(=O)CC1)(C)OC2=O)/C(C)C
Inchi	InChI=1S/C21H28O5/c1-14(2)15-7-9-16-6-5-13-21(3,26-20(16)24)18(22)12-11-17(10-8-15)19(23)25-4/h6,8,10,14H,5,7,9,11-13H2,1-4H3/b15-8+,17-10+/t21-/m0/s1
IUPAC	methyl (4E,6E,11S)-11-methyl-10,15-dioxo-4-propan-2-yl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-7-carboxylate
Molecular Weight	360.19
Pubchem Id	16091635
Chembl Id	CHEMBL470654

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

CHEMBL470654

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	6330	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00937	Sloanea zuliaensis	Sloanea zuliaensis	Others
BXGF01014	Humboldtia laurifolia	Humboldtia laurifolia	Others
BXGF01226	Agrimonia eupatoria	Agrimonia eupatoria	Medicinal Plant
BXGF01475	Tillandsia fragrans	Tillandsia fragrans	Others
BXGF01574	Alstonia lanceolifera	Alstonia lanceolifera	Others
BXGF01617	Campanula medium	Campanula medium	Medicinal Plant
BXGF01647	Pieris formosa	Pieris formosa	Medicinal Plant
BXGF01728	Selaginella uncinata	Selaginella uncinata	Medicinal Plant
BXGF01765	Teucrium montanum	Teucrium montanum	Medicinal Plant
BXGF01839	Alluaudia humbertii	Alluaudia humbertii	Others
BXGF01865	Rhabdodendron amazonicum	Rhabdodendron amazonicum	Others
BXGF01928	Artemisia caerulescens	Artemisia caerulescens	Others
BXGF01953	Echinops spinosissimus	Echinops spinosissimus	Medicinal Plant
BXGF02004	Magnolia salicifolia	Magnolia salicifolia	Medicinal Plant
BXGF02038	Cheilanthes tenuifolia	Cheilanthes tenuifolia	Medicinal Plant
BXGF02092	Acanthosyris spinescens	Acanthosyris spinescens	Human Edible Plant
BXGF02140	Euphorbia nivulia	Euphorbia nivulia	Medicinal Plant
BXGF02159	Udotea cyathiformis	Udotea cyathiformis	Others
BXGF02190	Gleditsia triacanthos	Gleditsia triacanthos	Medicinal Plant
BXGF02234	Ilex macropoda	Ilex macropoda	Medicinal Plant
BXGF02263	Lycium cestroides	Lycium cestroides	Others
BXGF02280	Pterocaulon alopecuroides	Pterocaulon alopecuroides	Medicinal Plant
BXGF02284	Palhinhaea cernua	Palhinhaea cernua	Medicinal Plant
BXGF02297	Paepalanthus hilairei	Paepalanthus hilairei	Others
BXGF02329	Helipterum venustum	Helipterum venustum	Others
BXGF03073	Eruca vesicaria subsp. sativa	Eruca vesicaria subsp. sativa	0
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04113	Monostroma fuscum	Monostroma fuscum	Others
BXGF04251	Uvariopsis tripetala	Uvariopsis tripetala	Medicinal Plant
BXGF05515	Hedyotis lawsoniae	Hedyotis lawsoniae	Others
BXGF05768	Tetracera rosiflora	Tetracera rosiflora	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}