acompound

Showing entry for Sphaeropsidin A

General Compound Information
BXGC Id	BXGC0029205
Compound Name	Sphaeropsidin A
Structure
Formula	C20H26O5
InchiKey	FEKFUWWVNCCROX-SQWSIXGCSA-N
SMILES	C=C[C@@]1(C)CC[C@]2(C(=C1)C(=O)[C@@]1([C@@H]3[C@@]2(CCCC3(C)C)C(=O)O1)O)O
Inchi	InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1
IUPAC
Molecular Weight	346.18
Pubchem Id	51361447
Chembl Id	CHEMBL1834675

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

CHEMBL1834675

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
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	11220	nM
P37840	BXGT010015	Alpha-synuclein	reviewed	Transporter	SNCA	Potency	-	1995	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	14125	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	1778	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	15848	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	3162	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	29934	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	2909	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	651	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	1636	nM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	FC	'='	2	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01013	Trichilia hirta	Trichilia hirta	Human Edible Plant
BXGF02692	Plectocephalus chilensis	Plectocephalus chilensis	Others
BXGF02740	Anemone thalictroides	Anemone thalictroides	Medicinal Plant
BXGF02794	Ephedra aphylla	Ephedra aphylla	Others
BXGF03408	Tecoma undulata	Tecoma undulata	Others
BXGF03437	Alhagi maurorum	Alhagi maurorum	Medicinal Plant
BXGF03729	Pulicaria insignis	Pulicaria insignis	Others
BXGF03791	Pistacia chinensis	Pistacia chinensis	Medicinal Plant
BXGF03809	Lobelia inflata	Lobelia inflata	Medicinal Plant
BXGF03856	Goniothalamus dolichocarpus	Goniothalamus dolichocarpus	Others
BXGF03903	Helicia nilagirica	Helicia nilagirica	Human Edible Plant
BXGF03906	Erythrophleum chlorostachys	Erythrophleum chlorostachys	Others
BXGF03942	Phaleria macrocarpa	Phaleria macrocarpa	Medicinal Plant
BXGF04001	Guettarda platypoda	Guettarda platypoda	Others
BXGF04010	Sapium indicum	Sapium indicum	Medicinal Plant
BXGF04015	Allium angulosum	Allium angulosum	Medicinal Plant
BXGF04025	Desmodium pulchellu	Desmodium pulchellu	Others
BXGF04415	Vernonia brevifolia	Vernonia brevifolia	Others
BXGF04661	Achyrocline tomentosa	Achyrocline tomentosa	Medicinal Plant
BXGF05086	Quercus suber	Quercus suber	Medicinal Plant
BXGF05139	Achyranthes obtusifolia	Achyranthes obtusifolia	Medicinal Plant
BXGF05148	Munronia delavayi	Munronia delavayi	Others
BXGF05251	Allium neapolitanum	Allium neapolitanum	Medicinal Plant
BXGF05342	Cycas armstrongii	Cycas armstrongii	Human Edible Plant
BXGF05395	Cycas revoluta	Cycas revoluta	Medicinal Plant
BXGF05591	Mammillaria magnimamma	Mammillaria magnimamma	Others
BXGF05618	Licaria armeniaca	Licaria armeniaca	Human Edible Plant
BXGF05693	Picea jezoensis var. jezoensis	Picea jezoensis var. jezoensis	Medicinal Plant
BXGF05733	Typha domingensis	Typha domingensis	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}