acompound

Showing entry for 3-Methoxynobiletin

General Compound Information
BXGC Id	BXGC0009047
Compound Name	3-Methoxynobiletin
Structure
Formula	C22H24O9
InchiKey	SSXJHQZOHUYEGD-UHFFFAOYSA-N
SMILES	COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1
Inchi	InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
IUPAC	2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one
Molecular Weight	432.42
Pubchem Id	150893
Chembl Id	CHEMBL77993

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

50064900

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	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	1400	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	1600	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	31000	-	-

CHEMBL

CHEMBL77993

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
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	IC50	'>'	40000	nM
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	IC50	'>'	40000	nM
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	IC50	'>'	40000	nM
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	IC50	'>'	40000	nM
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	IC50	'>'	40000	nM
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	IC50	'>'	40000	nM
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	IC50	'>'	40000	nM
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	IC50	'>'	40000	nM
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	IC50	'>'	40000	nM
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	IC50	'>'	40000	nM
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	IC50	'>'	40000	nM
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	IC50	'>'	40000	nM
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	IC50	'>'	40000	nM
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	IC50	'>'	40000	nM
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	IC50	'>'	40000	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	935	%
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Inhibition	'='	1	%
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	1	%
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Inhibition	'='	1	%
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Inhibition	'='	1	%
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Inhibition	'='	1	%
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Inhibition	'='	1	%
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Inhibition	'='	1	%
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Inhibition	'='	1	%
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Inhibition	'='	1	%
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Inhibition	'='	1	%
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Inhibition	'='	1	%
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Inhibition	'='	1	%
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Inhibition	'='	1	%
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Inhibition	'='	1	%
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Inhibition	'='	1	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	1400	nM
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	Activity	'='	5	pmol
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	Activity	'='	5	pmol
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	Activity	'='	5	pmol
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	Activity	'='	5	pmol
Q08493	BXGT012987	cAMP-specific 3',5'-cyclic phosphodiesterase 4C	reviewed	-	PDE4C	Inhibition	'='	50	%
Q07343	BXGT012926	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	reviewed	-	PDE4B	Inhibition	'='	50	%
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	Inhibition	'='	50	%
P27815	BXGT009208	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	reviewed	-	PDE4A	Inhibition	'='	50	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	IC50	'='	31000	nM
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	1600	nM

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
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF01056	Geigeria schinzii	Geigeria schinzii	Others
BXGF01287	Papaver radicatum	Papaver radicatum	Others
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01420	Pinus glauca	Pinus glauca	Others
BXGF01496	Ophryosporus charua	Ophryosporus charua	Others
BXGF01514	Blainvillea latifolia	Blainvillea latifolia	Others
BXGF01636	Prosopis kuntzei	Prosopis kuntzei	Medicinal Plant
BXGF01677	Leontice kiangnanensis	Leontice kiangnanensis	Others
BXGF01705	Cheilanthes marantae	Cheilanthes marantae	Others
BXGF01808	Helichrysum angustifolium	Helichrysum angustifolium	Others
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF03068	Stenocereus thurberi	Stenocereus thurberi	Human Edible Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible 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
BXGF03940	Pachycereus pringlei	Pachycereus pringlei	Human Edible 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
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF05113	Bersama swinnyi	Bersama swinnyi	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05573	Goniothalamus undulatus	Goniothalamus undulatus	Others
BXGF05690	Pteris spinulosa	Pteris spinulosa	Others
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF06066	Nemuaron humboldtii	Nemuaron humboldtii	Others
BXGF06099	Lophocereus marginatus	Lophocereus marginatus	Medicinal Plant
BXGF06117	Helichrysum sutherlandii	Helichrysum sutherlandii	Medicinal Plant
BXGF06134	Aralidium pinnatifidum	Aralidium pinnatifidum	Others
BXGF06265	Euphorbia resinifera	Euphorbia resinifera	Medicinal Plant
BXGF06320	Eurycoma longifolia	Eurycoma longifolia	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}