acompound

Showing entry for Ayanin

General Compound Information
BXGC Id	BXGC0036123
Compound Name	Ayanin
Structure
Formula	C18H16O7
InchiKey	KPCRYSMUMBNTCK-UHFFFAOYSA-N
SMILES	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC
Inchi	InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
IUPAC	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one
Molecular Weight	344.09
Pubchem Id	5280682
Chembl Id	CHEMBL74898

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

50064888

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	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	-	50000	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	680	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	460	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	13000	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	5700	-	-

CHEMBL

CHEMBL74898

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
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	460	nM
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	Activity	'='	5	g/L
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Inhibition	'='	0	%
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	0	%
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Inhibition	'='	0	%
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Inhibition	'='	0	%
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Inhibition	'='	0	%
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Inhibition	'='	0	%
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Inhibition	'='	0	%
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Inhibition	'='	0	%
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Inhibition	'='	0	%
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Inhibition	'='	0	%
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Inhibition	'='	0	%
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Inhibition	'='	0	%
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Inhibition	'='	0	%
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Inhibition	'='	0	%
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Inhibition	'='	0	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	5700	nM
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	680	nM
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	APTT	'='	61	s
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	IC50	'='	50000	nM
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	TT	'='	14	s
Q28731	BXGT013954	Thrombin	unreviewed	-	thrombin	PT	'='	6	s
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	IC50	'='	13000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00503	Rowal	Pangium edule	Herbs and Spices
BXGF00936	Tanacetum nubigenum	Tanacetum nubigenum	Others
BXGF01051	Callicarpa japonica	Callicarpa japonica	Medicinal Plant
BXGF01061	Avrainvillea longicaulis	Avrainvillea longicaulis	Others
BXGF01559	Achillea wilhelmsii	Achillea wilhelmsii	Others
BXGF01599	Helichrysum cephaloideum	Helichrysum cephaloideum	Medicinal Plant
BXGF01684	Hemionitis japonica	Hemionitis japonica	Others
BXGF01793	Sedum obtuso-lineare	Sedum obtuso-lineare	Others
BXGF01890	Trollius chinensis	Trollius chinensis	Medicinal Plant
BXGF02047	Vitex rotundifolia	Vitex rotundifolia	Medicinal Plant
BXGF02053	Hypericum balearicum	Hypericum balearicum	Others
BXGF02154	Sassafras officinalis	Sassafras officinalis	Others
BXGF02199	Bryum argenteum	Bryum argenteum	Medicinal Plant
BXGF02225	Backhousia angustifolia	Backhousia angustifolia	Others
BXGF02248	Juniperus ashei	Juniperus ashei	Medicinal Plant
BXGF02341	Euphorbia amygdaloides	Euphorbia amygdaloides	Medicinal Plant
BXGF02380	Entada phaseoloides	Entada phaseoloides	Medicinal Plant
BXGF02421	Hesperis matronalis	Hesperis matronalis	Medicinal Plant
BXGF02432	Hedychium yunnanense	Hedychium yunnanense	Others
BXGF02449	Jatropha macrorhiza	Jatropha macrorhiza	Others
BXGF02453	Cunninghamia lanceolata var. konishii	Cunninghamia lanceolata var. konishii	Others
BXGF02532	Dioscorea villosa	Dioscorea villosa	Medicinal Plant
BXGF02540	Jackiella javanica	Jackiella javanica	Medicinal Plant
BXGF02587	Rhus vulgaris	Rhus vulgaris	Human Edible Plant
BXGF02610	Cladrastis platycarpa	Cladrastis platycarpa	Others
BXGF02646	Eremanthus seidelii	Eremanthus seidelii	Others
BXGF02732	Senecio adenophyllus	Senecio adenophyllus	Others
BXGF02768	Lilium umbellatum	Lilium umbellatum	Others
BXGF02784	Artemisia rehan	Artemisia rehan	Others
BXGF02807	Elephantopus hirtiflorus	Elephantopus hirtiflorus	Others
BXGF02828	Nematolepis phebalioides	Nematolepis phebalioides	Others
BXGF02839	Solidago flexicaulis	Solidago flexicaulis	Human Edible Plant
BXGF02854	Ligularia cymbulifera	Ligularia cymbulifera	Others
BXGF02877	Coprosma areolata	Coprosma areolata	Medicinal Plant
BXGF02907	Oreopteris quelpaertensis	Oreopteris quelpaertensis	Others
BXGF02948	Viguiera linearis	Viguiera linearis	Others
BXGF03043	Melicope semecarpifolia	Melicope semecarpifolia	Medicinal Plant
BXGF03103	Cheilanthes fragrans	Cheilanthes fragrans	Medicinal Plant
BXGF03239	Fadogia agrestis	Fadogia agrestis	Medicinal Plant
BXGF03289	Ostrya carpinifolia	Ostrya carpinifolia	Medicinal Plant
BXGF03305	Aconitum variegatum	Aconitum variegatum	Medicinal Plant
BXGF03313	Magnolia montana	Magnolia montana	Medicinal Plant
BXGF03477	Stephania dielsiana	Stephania dielsiana	Medicinal Plant
BXGF03504	Sterculia foetida	Sterculia foetida	Medicinal Plant
BXGF03514	Pteris bella	Pteris bella	Medicinal Plant
BXGF03617	Crinum yemense	Crinum yemense	Others
BXGF03626	Trichilia heudelotii	Trichilia heudelotii	Others
BXGF03644	Andromeda polifolia	Andromeda polifolia	Medicinal Plant
BXGF03753	Scapania bolanderi	Scapania bolanderi	Others
BXGF03776	Argyrochosma pilifera	Argyrochosma pilifera	Others
BXGF03836	Gymnopetalum integrifolium	Gymnopetalum integrifolium	Medicinal Plant
BXGF03852	Genista lydia	Genista lydia	Others
BXGF03959	Vincetoxicum forrestii	Vincetoxicum forrestii	Others
BXGF04255	Gmelina asiatica	Gmelina asiatica	Medicinal Plant
BXGF04659	Phyllanthus emblica	Phyllanthus emblica	Medicinal Plant
BXGF05137	Acalypha australis	Acalypha australis	Medicinal Plant
BXGF05194	Acacia salicina	Acacia salicina	Medicinal Plant
BXGF05285	Aglaia formosana	Aglaia formosana	Others
BXGF05710	Blighia welwitschii	Blighia welwitschii	Human Edible Plant
BXGF06240	Kalanchoe blossfeldiana	Kalanchoe blossfeldiana	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}