acompound

Showing entry for 3-[(2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,4-Dihydro-2H-Chromen-8-Yl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022621
Compound Name	3-[(2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,4-Dihydro-2H-Chromen-8-Yl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One
Structure
Formula	C30H22O9
InchiKey	KBUYUAWZPKKJRC-QHCPKHFHSA-N
SMILES	Oc1ccc(cc1)[C@@H]1CCc2c(O1)c(c(cc2O)O)c1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O
Inchi	InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-22(36)26(30(19)38-23)27-28(37)25-21(35)11-18(33)12-24(25)39-29(27)15-3-7-17(32)8-4-15/h1-8,11-13,23,31-36H,9-10H2/t23-/m0/s1
IUPAC	3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Weight	526.13
Pubchem Id	13941113
Chembl Id	CHEMBL1433872

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

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	BXGT020189	Serine/threonine-protein kinase 33	reviewed	Kinase	STK33	-	-	-	>120000

CHEMBL

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM
Q4R6F8	BXGT014886	T-complex protein 1 subunit beta	reviewed	-	CCT2	Potency	-	35481	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	56234	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	12589	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	39810	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	31622	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	89125	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	15848	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00983	Marshallia graminifolia	Marshallia graminifolia	Others
BXGF01015	Acer caudatifolium	Acer caudatifolium	Others
BXGF01366	Baccharis macraei	Baccharis macraei	Others
BXGF01379	Astragalus sinicus	Astragalus sinicus	Medicinal Plant
BXGF01746	Salacia cordata	Salacia cordata	Human Edible Plant
BXGF01849	Aconitum heterophyllum	Aconitum heterophyllum	Medicinal Plant
BXGF02002	Vernonia megapotamica	Vernonia megapotamica	Others
BXGF02255	Serratula strangulata	Serratula strangulata	Medicinal Plant
BXGF02401	Mikania goyazensis	Mikania goyazensis	Others
BXGF02498	Cynoglossum formosanum	Cynoglossum formosanum	Others
BXGF02674	Eugenia sandwicensis	Eugenia sandwicensis	Medicinal Plant
BXGF02760	Lindera glauca	Lindera glauca	Medicinal Plant
BXGF02882	Chrysanthemum leptophyllum	Chrysanthemum leptophyllum	Others
BXGF02955	Oxytropis ochrocephala	Oxytropis ochrocephala	Others
BXGF05208	Daphne odora	Daphne odora	Medicinal Plant
BXGF05772	Rumohra adiantiformis	Rumohra adiantiformis	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}