acompound

Showing entry for Centaureidin

General Compound Information
BXGC Id	BXGC0053369
Compound Name	Centaureidin
Structure
Formula	C18H16O8
InchiKey	BZXULYMZYPRZOG-UHFFFAOYSA-N
SMILES	COc1ccc(cc1O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC
Inchi	InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
IUPAC	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one
Molecular Weight	360.08
Pubchem Id	5315773
Chembl Id	CHEMBL77552

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

50064891

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	BXGT010897	Nuclear receptor subfamily 0 group B member 1	reviewed	Nuclear receptor	NR0B1	-	34985	-	-
reviewed	BXGT013335	Steroidogenic factor 1	reviewed	Nuclear receptor	NR5A1	-	>67525	-	-
reviewed	BXGT005891	Tubulin alpha-1A chain	reviewed		TUBA1A	-	3000	-	-

CHEMBL

CHEMBL77552

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
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	22387	nM
P51843	BXGT010897	Nuclear receptor subfamily 0 group B member 1	reviewed	Nuclear receptor	NR0B1	IC50	'='	34985	nM
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	IC50	'='	3000	nM
Q862F3	BXGT017581	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	35	%
Q862L2	BXGT017582	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	35	%
Q6B856	BXGT016212	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	35	%
Q862F3	BXGT017581	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	76	%
Q862L2	BXGT017582	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	76	%
Q6B856	BXGT016212	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	76	%
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	IC50	'='	2000	nM
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	IC50	'='	2000	nM
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	IC50	'='	2000	nM
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	IC50	'='	2000	nM
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	IC50	'='	2000	nM
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	IC50	'='	2000	nM
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	IC50	'='	2000	nM
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	IC50	'='	2000	nM
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	IC50	'='	2000	nM
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	IC50	'='	2000	nM
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	IC50	'='	2000	nM
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	IC50	'='	2000	nM
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	IC50	'='	2000	nM
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	IC50	'='	2000	nM
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	IC50	'='	2000	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	19952	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	15848	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	730	nM
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	Inhibition	'='	55	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	920	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	410	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1458	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	2818	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	1683	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	6309	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00934	Aristolochia maxima	Aristolochia maxima	Medicinal Plant
BXGF01182	Betula mandshurica	Betula mandshurica	Medicinal Plant
BXGF01216	Drosera spatulata	Drosera spatulata	Others
BXGF01247	Achillea collina	Achillea collina	Others
BXGF01415	Mikania obtusata	Mikania obtusata	Others
BXGF01557	Jasminum officinale	Jasminum officinale	Medicinal Plant
BXGF01715	Bergenia purpurascens	Bergenia purpurascens	Medicinal Plant
BXGF01961	Polygala myrtifolia	Polygala myrtifolia	Others
BXGF02090	Ligularia platyglossa	Ligularia platyglossa	Medicinal Plant
BXGF02128	Rhodiola krylovii	Rhodiola krylovii	Others
BXGF02189	Eremophila mitchellii	Eremophila mitchellii	Others
BXGF02224	Rapanea myricoides	Rapanea myricoides	Others
BXGF02247	Crataegus sinaica	Crataegus sinaica	Human Edible Plant
BXGF02298	Malus asiatica	Malus asiatica	Medicinal Plant
BXGF02396	Artemisia vachanica	Artemisia vachanica	Others
BXGF02411	Lasiocephalus ovatus	Lasiocephalus ovatus	Others
BXGF02427	Montrouziera sphaeroidea	Montrouziera sphaeroidea	Others
BXGF02443	Cotoneaster orbicularis	Cotoneaster orbicularis	Others
BXGF02450	Bischofia trifoliata	Bischofia trifoliata	Others
BXGF02517	Pimpinella saxifraga	Pimpinella saxifraga	Medicinal Plant
BXGF02531	Caragana tibetica	Caragana tibetica	Medicinal Plant
BXGF02538	Macrotyloma axillare	Macrotyloma axillare	Others
BXGF02555	Trigonostemon reidioides	Trigonostemon reidioides	Medicinal Plant
BXGF02569	Ibervillea sonorae	Ibervillea sonorae	Medicinal Plant
BXGF02581	Euphorbia ferganensis	Euphorbia ferganensis	Others
BXGF02594	Arachniodes dimorphophylla	Arachniodes dimorphophylla	Others
BXGF02608	Oreosolen wattii	Oreosolen wattii	Others
BXGF02742	Discaria crenata	Discaria crenata	Others
BXGF02816	Fagraea fragrans	Fagraea fragrans	Medicinal Plant
BXGF02917	Albizia amara	Albizia amara	Medicinal Plant
BXGF03284	Senecio tricephalus	Senecio tricephalus	Others
BXGF03365	Veronicastrum virginicum	Veronicastrum virginicum	Others
BXGF03472	Tropaeolum speciosum	Tropaeolum speciosum	Others
BXGF04120	Solanum bahamense	Solanum bahamense	Others
BXGF04247	Tinospora smilacina	Tinospora smilacina	Medicinal Plant
BXGF04408	Sarcomelicope argyrophylla	Sarcomelicope argyrophylla	Others
BXGF04638	Dovyalis abyssinica	Dovyalis abyssinica	Medicinal Plant
BXGF04698	Isodon rubescens	Isodon rubescens	Others
BXGF05325	Eucalyptus cordata	Eucalyptus cordata	Others
BXGF05380	Jasonia montana	Jasonia montana	Others
BXGF05440	Nephelium mutabile	Nephelium mutabile	Medicinal Plant
BXGF05505	Fritillaria ussuriensis	Fritillaria ussuriensis	Medicinal Plant
BXGF05751	Vatica diospyroides	Vatica diospyroides	Others
BXGF06041	Pithecellobium clypearia	Pithecellobium clypearia	Medicinal Plant
BXGF06221	Annona rensoniana	Annona rensoniana	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06256	Delphinium hybr	Delphinium hybr	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}