7-deacetylgedunin profile

7-deacetylgedunin : A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Azadirachta	genus	A plant genus of the family MELIACEAE. Members contain azadirachtin A (a limonoid commonly referred to as azadirachtin) and other TRITERPENES. They have been used in PESTICIDES. The old name of Melia azadirachta is very similar to a related plant, MELIA AZEDARACH.[MeSH]	Meliaceae	The mahogany plant family of the order Sapindales, subclass Rosidae, class Magnoliopsida.[MeSH]

ID Source	ID
PubMed CID	3034112
CHEMBL ID	465423
CHEBI ID	67296

Synonym
14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-d-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-
nsc 309912
d-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione, 14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-
oxireno(c)phenanthro(1,2-d)pyran-3,8(3ah,4bh)-dione, 1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-5-hydroxy-4b,7,7,10a,12a-pentamethyl-, (1s-(1alpha,3aalpha,4as*,4bbeta,5alpha,6aalpha,10abeta,10balpha,12aalpha))-
10314-90-6
smr000232317
deacetylgedunin
MLS000563459
chebi:67296 ,
7-deacetylgedunin
CHEMBL465423
7-deacetyl genudin
7-desacetylgedunin
HMS2219M05
7-deacetoxy-7alpha-hydroxygedunin
(5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-d-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione
(4ar,6r,6as,6br,7as,10r,10as,12ar,12br)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4h,7ah)-dione
sr-01000712180
SR-01000712180-2
Q27135754
(1s,2r,4s,7s,8s,11r,12r,17r,19r)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
(1s,3as,4ar,4bs,5r,6ar,10ar,10br,12as)-1-(furan-3-yl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl-1,5,6,6a,7,10a,10b,11,12,12a-decahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,8(3ah,4bh)-dione
AKOS040751429

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimalarial	A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
anti-inflammatory agent	Any compound that has anti-inflammatory effects.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
enone	An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.
cyclic terpene ketone	An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton.
epoxide	Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.
furans	Compounds containing at least one furan ring.
limonoid	Any triterpenoid that is highly oxygenated and has a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. The term 'limonoid' comes from limonin, the first tetranortriterpenoid obtained from citrus bitter principles.
pentacyclic triterpenoid
delta-lactone	A lactone having a six-membered lactone ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	0.3162	0.0447	17.8581	100.0000	AID485294
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	39.8107	0.1000	20.8793	79.4328	AID588453
ATAD5 protein, partial	Homo sapiens (human)	Potency	25.9290	0.0041	10.8903	31.5287	AID504467
USP1 protein, partial	Homo sapiens (human)	Potency	3.9811	0.0316	37.5844	354.8130	AID743255
Microtubule-associated protein tau	Homo sapiens (human)	Potency	14.1254	0.1800	13.5574	39.8107	AID1460
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	11.2202	0.2818	9.7212	35.4813	AID2326
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	79.4328	0.7079	36.9043	89.1251	AID504333
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	89.1251	0.0355	20.9770	89.1251	AID504332
chromobox protein homolog 1	Homo sapiens (human)	Potency	100.0000	0.0060	26.1688	89.1251	AID540317
geminin	Homo sapiens (human)	Potency	26.1011	0.0046	11.3741	33.4983	AID624296; AID624297
Vpr	Human immunodeficiency virus 1	Potency	63.0957	1.5849	19.6264	63.0957	AID651644
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	35.4813	0.1259	12.2344	35.4813	AID1458
lamin isoform A-delta10	Homo sapiens (human)	Potency	17.7828	0.8913	12.0676	28.1838	AID1487
TAR DNA-binding protein 43	Homo sapiens (human)	Potency	14.1254	1.7783	16.2081	35.4813	AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of protein phosphorylation	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA processing	TAR DNA-binding protein 43	Homo sapiens (human)
RNA splicing	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of protein stability	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of insulin secretion	TAR DNA-binding protein 43	Homo sapiens (human)
response to endoplasmic reticulum stress	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of protein import into nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of circadian rhythm	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of apoptotic process	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation by host of viral transcription	TAR DNA-binding protein 43	Homo sapiens (human)
rhythmic process	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of cell cycle	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA destabilization	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA stabilization	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear inner membrane organization	TAR DNA-binding protein 43	Homo sapiens (human)
amyloid fibril formation	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
double-stranded DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
RNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA 3'-UTR binding	TAR DNA-binding protein 43	Homo sapiens (human)
protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
lipid binding	TAR DNA-binding protein 43	Homo sapiens (human)
identical protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
pre-mRNA intronic binding	TAR DNA-binding protein 43	Homo sapiens (human)
molecular condensate scaffold activity	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
intracellular non-membrane-bounded organelle	TAR DNA-binding protein 43	Homo sapiens (human)
nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
perichromatin fibrils	TAR DNA-binding protein 43	Homo sapiens (human)
mitochondrion	TAR DNA-binding protein 43	Homo sapiens (human)
cytoplasmic stress granule	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear speck	TAR DNA-binding protein 43	Homo sapiens (human)
interchromatin granule	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
chromatin	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (79)

Assay ID	Title	Year	Journal	Article
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID595611	Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by MTT assay	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).
AID274747	Cytotoxicity against rat L6 cells	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID1867317	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease in IL-1beta expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by wester	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID402140	Antimalarial activity against Plasmodium falciparum D6 by [3H]hypoxanthine uptake	1997	Journal of natural products, Apr, Volume: 60, Issue:4	Antimalarial activity of tropical Meliaceae extracts and gedunin derivatives.
AID1867309	Antiinflammatory activity against PMA-differentiated and LPS/NIG stimulated human THP-1 cells assessed as increase in cell viability at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by CCK8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1169736	Selectivity index, ratio of CC50 against human HuH7 cells to EC50 against dengue virus 2	2014	Journal of natural products, Nov-26, Volume: 77, Issue:11	Limonoids from the seeds of Swietenia macrophylla with inhibitory activity against dengue virus 2.
AID499797	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 after 72 hrs by LDH assay	2010	Journal of natural products, Aug-27, Volume: 73, Issue:8	Antiplasmodial triterpenoids from the fruits of neem, Azadirachta indica.
AID1867322	Antiinflammatory activity against LPS/ATP-stimulated human J774.A1 cells assessed as inhibition of ROS release at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by DCFH-DA staining based confocal microscopy	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867298	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as reduction in nuclear localization of NF-KappaB at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867314	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/MSU-stimulated human THP-1 cells assessed as decrease in caspase-1 expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by weste	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867293	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as decrease in pro caspase-1 expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 h	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID609615	Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assessed as nitrite level after 24 hrs by Griess method	2011	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15	Limonoids from seeds of Thai Xylocarpus moluccensis.
AID1867296	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as reduction in total NF-KappaB P65 expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition fo	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867301	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as assessed as increase in potassium ion concentration at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP add	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID402142	Antimalarial activity against Plasmodium falciparum D6 by [3H]hypoxanthine uptake relative to gedunin	1997	Journal of natural products, Apr, Volume: 60, Issue:4	Antimalarial activity of tropical Meliaceae extracts and gedunin derivatives.
AID402143	Antimalarial activity against Plasmodium falciparum W2 by [3H]hypoxanthine uptake relative to gedunin	1997	Journal of natural products, Apr, Volume: 60, Issue:4	Antimalarial activity of tropical Meliaceae extracts and gedunin derivatives.
AID1867306	Inhibition of pronase mediated degradation of P2X7 in human THP-1 cells assessed as increase in P2X7 expression at 20 to 80 uM by Western blot analysis	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867297	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as reduction in total NF-KappaB P65 nuclear expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP add	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID595613	Cytotoxicity against human CRL1579 cells assessed as cell viability after 48 hrs by MTT assay	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).
AID467914	Cytotoxicity against human HepG2 cells after 3 days by MTT assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.
AID1867303	Antiinflammatory activity against LPS/ATP-induced human J774.A1 cells assessed as inhibition of ROS release at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by DCFH-DA staining based flow cytometry analysis	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867288	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as inhibition of IL-1beta secretion at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by ELISA	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867283	Cytotoxicity against mouse J774.1 cells derived macrophage assessed as reduction in cell viability upto 40 uM incubated for 24 hrs by CCK-8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID402144	Cytotoxicity against human KB cells assessed as viability at 20000 ng/ml	1997	Journal of natural products, Apr, Volume: 60, Issue:4	Antimalarial activity of tropical Meliaceae extracts and gedunin derivatives.
AID391489	Antiproliferative activity against human MCF7 cells after 72 hrs	2008	Journal of medicinal chemistry, Oct-23, Volume: 51, Issue:20	Gedunin, a novel hsp90 inhibitor: semisynthesis of derivatives and preliminary structure-activity relationships.
AID1867302	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as assessed as increase in intracellular chloride concentration at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID595609	Cytotoxicity against human AZ-521 cells assessed as cell viability after 48 hrs by MTT assay	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).
AID1867321	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as assessed as increase in potassium ion concentration at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP add	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867284	Cytotoxicity against human THP-1 cells derived macrophage assessed as reduction in cell viability upto 40 uM incubated for 24 hrs by CCK-8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID595612	Cytotoxicity against human SK-BR-3 cells assessed as cell viability after 48 hrs by MTT assay	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).
AID1169734	Antiviral activity against dengue virus 2 infected in human HuH7 cells after 72 hrs by Western blot and ECL detection based assay	2014	Journal of natural products, Nov-26, Volume: 77, Issue:11	Limonoids from the seeds of Swietenia macrophylla with inhibitory activity against dengue virus 2.
AID467910	Cytotoxicity against human ChaGo cells after 3 days by MTT assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.
AID1867292	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as decrease in pro-IL-1beta expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hr	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867287	Cytotoxicity against human THP-1 cells assessed as survival rate at < 40 uM by CCK8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867307	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as decrease in IL-1beta expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867310	Antiinflammatory activity against PMA-differentiated and LPS/MSU stimulated human THP-1 cells assessed as increase in cell viability at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by CCK8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID398916	In vivo antitumor activity against mouse P388 cells at 1.5 to 24 mg
AID391490	Antiproliferative activity against human SKBr3 cells after 72 hrs	2008	Journal of medicinal chemistry, Oct-23, Volume: 51, Issue:20	Gedunin, a novel hsp90 inhibitor: semisynthesis of derivatives and preliminary structure-activity relationships.
AID467913	Cytotoxicity against human BT474 cells after 3 days by MTT assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.
AID1867312	Antiinflammatory activity against PMA-differentiated and LPS/NIG stimulated human THP-1 cells assessed as increase in cell viability at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by LDH assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867285	Antiinflammatory activity in mouse RAW264.7 assessed as inhibition of LPS-induced NO production incubated for 1 hrs followed by LPS stimulation for 18 hrs by Griess reagent based assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867315	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease in pro-IL-1beta expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by we	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867286	Antiinflammatory activity against PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta level at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by ELISA	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867319	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease in pro-caspase-1 expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by w	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867313	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease in caspase-1 expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by weste	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867295	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as downregulation of NF-KappaB p65 subunit phosphorylation at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID274746	Antiprotozoal activity against Trypanosoma cruzi Tulahuen C2C4 trypomastigotes in L6 cells	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID402141	Antimalarial activity against Plasmodium falciparum W2 by [3H]hypoxanthine uptake	1997	Journal of natural products, Apr, Volume: 60, Issue:4	Antimalarial activity of tropical Meliaceae extracts and gedunin derivatives.
AID1169735	Cytotoxicity against human HuH7 cells after 72 hrs by MTS assay	2014	Journal of natural products, Nov-26, Volume: 77, Issue:11	Limonoids from the seeds of Swietenia macrophylla with inhibitory activity against dengue virus 2.
AID609617	Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay	2011	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15	Limonoids from seeds of Thai Xylocarpus moluccensis.
AID499798	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 after 72 hrs by LDH assay	2010	Journal of natural products, Aug-27, Volume: 73, Issue:8	Antiplasmodial triterpenoids from the fruits of neem, Azadirachta indica.
AID1867311	Antiinflammatory activity against PMA-differentiated and LPS/ATP stimulated human THP-1 cells assessed as increase in cell viability at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by LDH assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867316	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/MSU-stimulated human THP-1 cells assessed as decrease in pro-IL-1beta expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by we	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID274744	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 amastigotes	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID378467	Cytotoxicity against mouse P388 cells	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Hydroxylated gedunin derivatives from Cedrela sinensis.
AID1867299	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as inhibition of IL-6 secretion at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by ELISA	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867305	Inhibition of NLRP3 inflammasome activation in LPS/ATP-induced human THP-1 cells assessed as suppression of P2X7 expression at 5 to 20 uM preincubated for 1 hrs followed by LPS for 12 hrs and ATP 0.5 hrs in presence of A438079 by Western blot analysis	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID467912	Cytotoxicity against human KATO III cells after 3 days by MTT assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.
AID1867318	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/MSU-stimulated human THP-1 cells assessed as decrease in IL-1beta expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by wester	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID595610	Cytotoxicity against human A549 cells assessed as cell viability after 48 hrs by MTT assay	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1867308	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease of ASC oligomerization at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by DAPI s	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867304	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as suppression of P2X7 expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867290	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as inhibition of IL-1beta secretion at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs b	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID467911	Cytotoxicity against human SW620 cells after 3 days by MTT assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.
AID274743	Antiplasmodial activity against Plasmodium falciparum K1	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID1867320	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/MSU-stimulated human THP-1 cells assessed as decrease in pro-caspase-1 expression at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by w	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867291	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/ATP-stimulated human THP-1 cells assessed as decrease in caspase-1 expression at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs b	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867289	Antiinflammatory activity against PMA-differentiated and LPS/ATP stimulated human THP-1 cells assessed as increase in cell viability at 5 to 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and ATP addition for 0.5 hrs by CCK8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867282	Cytotoxicity against mouse RAW264.7 cells derived macrophage assessed as reduction in cell viability upto 40 uM incubated for 24 hrs by CCK-8 assay	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID274745	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID1867294	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/MSU-stimulated human THP-1 cells assessed as inhibition of IL-1beta secretion at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and MSU addition for 6 hrs by ELISA	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1867300	Inhibition of NLRP3 inflammasome activation in PMA-differentiated and LPS/NIG-stimulated human THP-1 cells assessed as decrease of ASC polymers at 20 uM incubated for 1 hrs followed by LPS stimulation for 12 hrs and NIG addition for 2 hrs by Western blot	2022	Journal of natural products, 05-27, Volume: 85, Issue:5	Inhibition of the P2X7/NLRP3 Inflammasome Signaling Pathway by Deacetylgedunin from
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (7.14)	18.2507
2000's	4 (28.57)	29.6817
2010's	7 (50.00)	24.3611
2020's	2 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	2 (13.33%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	13 (86.67%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	2.71	3	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	2.06	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.03	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
mefloquine hydrochloride [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.	1.99	1	organofluorine compound; piperidines; quinolines; secondary alcohol
melarsoprol Melarsoprol: Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.	2.03	1	triazines
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.03	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.	2.03	1	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
ribavirin Rebetron: Rebetron is tradename	2.1	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
nimbin nimbin: from Neem seed (Azadirachta indica). nimbin : A limonoid found in Azadirachta indica.	2.06	1	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite
omega-n-methylarginine omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.	3.51	1	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
limonin [no description available]	1.99	1	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
quinine [no description available]	1.99	1	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
geldanamycin [no description available]	2.04	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
6-deacetylnimbin 6-deacetylnimbin: structure in first source. 6-deacetylnimbin : A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica.	2.06	1	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite
azadirone azadirone: from Azadirachta indica A. Juss; structure in first source. azadirone : A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by an oxo group at position 3, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antiplasmodial and antineoplastic activities.	2.05	1	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite
gedunin [no description available]	3.13	5	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
azadiradione azadiradione: structure in first source. azadiradione : A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities.	2.46	2	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite
azadirachtin b azadirachtin B: structure in first source. azadirachtin B : A member of the class of azadirachtin found in the neem tree, Azadirachta indica.	2.06	1
epoxyazadiradione epoxyazadiradione: limonoid from neem tree Azadirachta indica; RN given for (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-isomer; structure in first source. epoxyazadiradione : A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes.	2.46	2	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite

Condition	Relationship Strength	Studies
Plasmodium falciparum Malaria [description not available]	1.99	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	1.99	1
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	2.03	1
Benign Neoplasms [description not available]	3.03	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	3.03	1

7-deacetylgedunin

Description

Cross-References

Synonyms (23)

Roles (4)

Drug Classes (7)

Protein Targets (14)

Potency Measurements

Biological Processes (18)

Molecular Functions (10)

Ceullar Components (9)

Bioassays (79)

Research

Studies (14)

Market Indicators

Research Demand Index: 12.36

Study Types

7-deacetylgedunin

Description

Related Flora

Cross-References

Synonyms (23)

Roles (4)

Drug Classes (7)

Protein Targets (14)

Potency Measurements

Biological Processes (18)

Molecular Functions (10)

Ceullar Components (9)

Bioassays (79)

Research

Studies (14)

Market Indicators

Research Demand Index: 12.36

Study Types

Related Drugs (19)

Related Conditions (5)