acompound

General Compound Information
BXGC Id	BXGC0028113
Compound Name	Fraxine
Structure
Formula	C16H18O10
InchiKey	CRSFLLTWRCYNNX-QBNNUVSCSA-N
SMILES	OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
IUPAC	7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular Weight	370.09
Pubchem Id	5273568
Chembl Id	CHEMBL293864

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>100000	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	9800	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	7450	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	5040	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	3870	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	370	-	-	-

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
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	3870	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	22387	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	7450	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	5040	nM
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	9800	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	22387	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1032	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	79432	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	100000	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	14125	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	35481	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	35481	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	29092	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	370	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01987	Fraxinus chinensis	Fraxinus chinensis	Medicinal Plant
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF03826	Isodon pharicus	Isodon pharicus	Others
BXGF04845	Sarcandra glabra	Sarcandra glabra	Medicinal Plant
BXGF05112	Fraxinus stylosa	Fraxinus stylosa	Medicinal Plant
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05746	Atalantia wightii	Atalantia wightii	Others
BXGF06269	Fraxinus szaboana	Fraxinus szaboana	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}