acompound

Showing entry for Casuarictin

General Compound Information
BXGC Id	BXGC0010389
Compound Name	Casuarictin
Structure
Formula	C41H28O26
InchiKey	SWRFKGRMQVLMKA-JIZJWZDPSA-N
SMILES	OC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]12
Inchi	InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H
IUPAC	7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,1?.0?,1?.011,1?.02?,31.032,3?]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate
Molecular Weight	936.65
Pubchem Id	73644
Chembl Id	CHEMBL446979

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

50250990

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	-	7000	-	-

CHEMBL

CHEMBL446979

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	'='	7000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00160	Rubus (Blackberry, Raspberry)	Rubus	Fruits
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00260	Acorn	Quercus	Nuts
BXGF00821	Nuts		Nuts
BXGF00852	Triaenophora rupestris	Triaenophora rupestris	Others
BXGF00911	Piper attenuatum	Piper attenuatum	Medicinal Plant
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
BXGF01370	Artemisia jacutica	Artemisia jacutica	Others
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
BXGF01858	Bersama abyssinica	Bersama abyssinica	Medicinal Plant
BXGF01959	Cissus quinquefolia	Cissus quinquefolia	Others
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02222	Clusia multiflora	Clusia multiflora	Others
BXGF02294	Bartramia pomiformis	Bartramia pomiformis	Medicinal Plant
BXGF02441	Aconitum sajanense	Aconitum sajanense	Others
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02711	Ligularia dentata	Ligularia dentata	Medicinal Plant
BXGF02870	Strychnos triplinervia	Strychnos triplinervia	Medicinal Plant
BXGF03230	Ehretia dicksonii	Ehretia dicksonii	Medicinal Plant
BXGF04045	Senegalia pennata	Senegalia pennata	Medicinal Plant
BXGF04079	Senna siamea	Senna siamea	Medicinal Plant
BXGF04094	Virola multinervia	Virola multinervia	Medicinal Plant
BXGF04278	Casimiroa tetrameria	Casimiroa tetrameria	Medicinal Plant
BXGF04341	Sanguisorba officinalis	Sanguisorba officinalis	Medicinal Plant
BXGF05015	Balanophora involucrata	Balanophora involucrata	Medicinal Plant
BXGF05094	Lupinus verbasciformis	Lupinus verbasciformis	Others
BXGF05169	Senecio sinuatus	Senecio sinuatus	Others
BXGF05286	Cassia jahnii	Cassia jahnii	Others
BXGF05348	Colchicum speciosum	Colchicum speciosum	Others
BXGF05600	Aframomum amaniense	Aframomum amaniense	Others
BXGF05712	Davallia orientalis	Davallia orientalis	Others
BXGF05714	Khaya senegalensis	Khaya senegalensis	Medicinal Plant
BXGF05718	Avrainvillea rawsonii	Avrainvillea rawsonii	Others
BXGF05795	Nama hispidum	Nama hispidum	Others
BXGF05831	Rosa laevigata	Rosa laevigata	Medicinal Plant
BXGF05874	Damnacanthus major	Damnacanthus major	Others
BXGF05900	Beilschmiedia anacardioides	Beilschmiedia anacardioides	Medicinal Plant
BXGF06063	Stauntonia hexaphylla	Stauntonia hexaphylla	Medicinal Plant
BXGF06213	Heliomeris multiflora	Heliomeris multiflora	Others
BXGF06224	Rubus sanctus	Rubus sanctus	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}