acompound

Showing entry for Gedunin

General Compound Information
BXGC Id	BXGC0027544
Compound Name	Gedunin
Structure
Formula	C28H34O7
InchiKey	YJXDGWUNRYLINJ-BHAPSIHVSA-N
SMILES	CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2([C@@H]2[C@]1(C)[C@@]13O[C@@H]1C(=O)O[C@H]([C@@]3(CC2)C)c1ccoc1)C
Inchi	InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1
IUPAC
Molecular Weight	482.23
Pubchem Id	12004512
Chembl Id	CHEMBL465226

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

CHEMBL465226

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
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	20596	nM
P08238	BXGT006753	Heat shock protein HSP 90-beta	reviewed	Chaperone	HSP90AB1	Inhibition	-	-	-
P07900	BXGT006696	Heat shock protein HSP 90-alpha	reviewed	Chaperone	HSP90AA1	Inhibition	-	-	-
P08238	BXGT006753	Heat shock protein HSP 90-beta	reviewed	Chaperone	HSP90AB1	Activity	-	-	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	29092	nM
P11500	BXGT007715	Heat shock protein HSP 90 (Fragments)	reviewed	-		Activity	-	-	-
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	28183	nM
P9WHJ3	BXGT012297	Protein RecA	reviewed	-	recA	EC50	'='	16100	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	31622	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	65	%
P9WMR3	BXGT012397	Replicative DNA helicase	reviewed	-	dnaB	AC50	'='	4566	nM
P9WMR3	BXGT012397	Replicative DNA helicase	reviewed	-	dnaB	AC50	'='	44530	nM
P08238	BXGT006753	Heat shock protein HSP 90-beta	reviewed	Chaperone	HSP90AB1	Activity	-	-	-
P07900	BXGT006696	Heat shock protein HSP 90-alpha	reviewed	Chaperone	HSP90AA1	Activity	-	-	-
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	44668	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	11220	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	10000	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4109	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	251	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	5173	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	5623	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	12589	nM
Q15185	BXGT013549	Prostaglandin E synthase 3	reviewed	Chaperone	PTGES3	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	105	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	10322	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF04735	Xylocarpus granatum	Xylocarpus granatum	Medicinal Plant
BXGF04789	Khaya grandifoliola	Khaya grandifoliola	Medicinal Plant
BXGF05271	Azadirachta indica	Azadirachta indica	Medicinal Plant
BXGF05387	Garcinia multiflora	Garcinia multiflora	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}