acompound

Showing entry for Mallotusinic Acid

General Compound Information
BXGC Id	BXGC0042849
Compound Name	Mallotusinic Acid
Structure
Formula	C48H32O32
InchiKey	MWPRJJBXNINUTQ-PDRZNIRRSA-N
SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(Oc1c(cc(c(c1O)O)O)C(=O)O)c(c3O)O)O)O
Inchi	InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)
IUPAC
Molecular Weight	1120.09
Pubchem Id	16201525
Chembl Id	CHEMBL506817

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

50250995

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	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	8000	-	-

CHEMBL

CHEMBL506817

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
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	8000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00926	Larix cajanderi	Larix cajanderi	Others
BXGF01010	Sextonia rubra	Sextonia rubra	Others
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF01264	Cedrus libani	Cedrus libani	Medicinal Plant
BXGF01297	Justicia paniculata	Justicia paniculata	Medicinal Plant
BXGF01340	Khaya ivorensis	Khaya ivorensis	Medicinal Plant
BXGF01425	Craspidospermum verticillatum	Craspidospermum verticillatum	Others
BXGF01472	Cerinthe minor	Cerinthe minor	Others
BXGF01502	Ixeris stolonifera	Ixeris stolonifera	Medicinal Plant
BXGF01535	Cephalaria grossheimii	Cephalaria grossheimii	Others
BXGF01638	Lotus japonicus	Lotus japonicus	Others
BXGF01679	Melaleuca rhaphiophylla	Melaleuca rhaphiophylla	Others
BXGF01726	Senecio renardii	Senecio renardii	Medicinal Plant
BXGF01760	Hypericum ascyron	Hypericum ascyron	Medicinal Plant
BXGF01789	Aristolochia zollingeriana	Aristolochia zollingeriana	Others
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF03230	Ehretia dicksonii	Ehretia dicksonii	Medicinal Plant
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	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}