acompound

General Compound Information
BXGC Id	BXGC0020076
Compound Name	pterosin C 3-O-glucoside
Structure
Formula	C20H28O8
InchiKey	VKDMMOFAMUXTQZ-VTNBQNSRSA-N
SMILES	OC[C@H]1O[C@@H](OCCc2c(C)cc3c(c2C)C(=O)[C@H]([C@@H]3O)C)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3/t10-,13+,15-,17+,18-,19+,20+/m0/s1
IUPAC	(2S,3S)-3-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
Molecular Weight	396.18
Pubchem Id	44201982
Chembl Id	CHEMBL1892637

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

n.a

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

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2909	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
Q9HC16	BXGT020525	DNA dC->dU-editing enzyme APOBEC-3G	reviewed	Enzyme	APOBEC3G	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	31622	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01009	Dipsacus asper	Dipsacus asper	Others
BXGF01046	Coutarea latifolia	Coutarea latifolia	Others
BXGF01090	Rivina humilis	Rivina humilis	Medicinal Plant
BXGF01171	Duguetia calycina	Duguetia calycina	Human Edible Plant
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01371	Eriostemon spicatus	Eriostemon spicatus	Others
BXGF01402	Phalaris canariensis	Phalaris canariensis	Medicinal Plant
BXGF01492	Jacaranda chelonia	Jacaranda chelonia	Others
BXGF01512	Payena lucida	Payena lucida	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01544	Crepidiastrum sonchifolium	Crepidiastrum sonchifolium	Others
BXGF02544	Attalea excelsa	Attalea excelsa	Others
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04460	Tanacetum parthenifolium	Tanacetum parthenifolium	Others
BXGF04904	Samadera indica	Samadera indica	Medicinal Plant
BXGF05518	Hymenothrix wislizenii	Hymenothrix wislizenii	Others
BXGF05793	Greenwayodendron oliveri	Greenwayodendron oliveri	Others
BXGF05866	Garcinia pyrifera	Garcinia pyrifera	Others
BXGF06012	Ophryosporus floribundus	Ophryosporus floribundus	Others
BXGF06074	Artemisia lactiflora	Artemisia lactiflora	Medicinal Plant
BXGF06295	Catalpa ovata	Catalpa ovata	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}