acompound

Showing entry for Obacunone

General Compound Information
BXGC Id	BXGC0035075
Compound Name	Obacunone
Structure
Formula	C26H30O7
InchiKey	MAYJEFRPIKEYBL-OASIGRBWSA-N
SMILES	O=C1C=C[C@]2([C@H](C(O1)(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C
Inchi	InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
IUPAC
Molecular Weight	454.2
Pubchem Id	119041
Chembl Id	CHEMBL404140

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

CHEMBL404140

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
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	259	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	44668	nM
Q99685	BXGT019948	Monoglyceride lipase	reviewed	Enzyme	MGLL	Inhibition	'='	4	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF01005	Dictamnus dasycarpus	Dictamnus dasycarpus	Medicinal Plant
BXGF01067	Salta triflora	Salta triflora	Others
BXGF01579	Esenbeckia hartmanii	Esenbeckia hartmanii	Others
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02070	Espeletiopsis purpurascens	Espeletiopsis purpurascens	Others
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02480	Amomum reticulatum	Amomum reticulatum	Others
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF02969	Plectranthus hereroensis	Plectranthus hereroensis	Others
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03639	Caralluma russeliana	Caralluma russeliana	Others
BXGF03657	Dalbergia monetaria	Dalbergia monetaria	Medicinal Plant
BXGF03676	Ursinia anthemoides	Ursinia anthemoides	Others
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03716	Polypodium aureum	Polypodium aureum	Others
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03756	Casimiroa edulis	Casimiroa edulis	Medicinal Plant
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03792	Helianthus californicus	Helianthus californicus	Others
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF05111	Trifolium montanum	Trifolium montanum	Others
BXGF05463	Ageratina saltillensis	Ageratina saltillensis	Others
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05797	Salvia polystachya	Salvia polystachya	Medicinal Plant
BXGF05827	Spiraea prunifolia	Spiraea prunifolia	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF05939	Grewia villosa	Grewia villosa	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}