acompound

General Compound Information
BXGC Id	BXGC0051541
Compound Name	pterosin B
Structure
Formula	C14H18O2
InchiKey	SJNCSXMTBXDZQA-SECBINFHSA-N
SMILES	OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C
Inchi	InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3/t9-/m1/s1
IUPAC	(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Molecular Weight	218.13
Pubchem Id	115049
Chembl Id	CHEMBL1728959

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	-	14581	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	580	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	100000	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
BXGF03895	Cibotium barometz	Cibotium barometz	Medicinal Plant
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04309	Pteris multifida	Pteris multifida	Medicinal Plant
BXGF04460	Tanacetum parthenifolium	Tanacetum parthenifolium	Others
BXGF04532	Solanum nigrum linn	Solanum nigrum linn	Others
BXGF04904	Samadera indica	Samadera indica	Medicinal Plant
BXGF05101	Swietenia mahagoni	Swietenia mahagoni	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}