asterric acid

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Description

asterric acid: structure given in first source; inhibits the binding of endothelin-1 to the ET(A) receptor of A10 cells [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID Source	ID
PubMed CID	3080568
CHEMBL ID	469424
SCHEMBL ID	6046569
MeSH ID	M0211469

Synonyms (31)

Synonym
577-64-0
unii-j3q23xl4kn
j3q23xl4kn ,
benzoic acid, 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxy-, 1-methyl ester
NCGC00180411-01
MEGXM0_000244
ACON1_001529
asterric acid
smr000440714
MLS000863583 ,
ACON0_000930
2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-meta??hyl-benzoic acid
xokvhfntyhpehn-uhfffaoysa-
inchi=1/c17h16o8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19h,1-3h3,(h,20,21)
BRD-K20637966-001-01-0
L007432
CHEMBL469424 ,
2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
HMS2270H17
SCHEMBL6046569
bdbm50711
cid_3080568
2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-hydroxy-4-methyl-benzoic acid
2-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-phenoxy)-4-methyl-6-oxidanyl-benzoic acid
DTXSID60206405
asterric acid, >=95% (lc/ms-elsd)
methyl 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxybenzoate
Q15410258
tan-1415a
2-hydroxy-6-(4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy)-4-methylbenzoic acid
AKOS040744937

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (54)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.6310	0.0032	45.4673	12,589.2998	AID2517
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	15.8114	0.1409	11.1940	39.8107	AID2451
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	19.9526	0.6310	35.7641	100.0000	AID504339
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	28.1838	0.1778	14.3909	39.8107	AID2147
Chain A, ATP-DEPENDENT DNA HELICASE Q1	Homo sapiens (human)	Potency	13.6995	0.1259	19.1169	125.8920	AID2549; AID504841
glp-1 receptor, partial	Homo sapiens (human)	Potency	8.9125	0.0184	6.8060	14.1254	AID624417
WRN	Homo sapiens (human)	Potency	19.9526	0.1683	31.2583	100.0000	AID651768
phosphopantetheinyl transferase	Bacillus subtilis	Potency	56.2341	0.1413	37.9142	100.0000	AID1490
ATAD5 protein, partial	Homo sapiens (human)	Potency	29.0810	0.0041	10.8903	31.5287	AID504467
GLS protein	Homo sapiens (human)	Potency	11.2202	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	1.0953	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	17.7828	0.1800	13.5574	39.8107	AID1460
thioredoxin glutathione reductase	Schistosoma mansoni	Potency	7.0795	0.1000	22.9075	100.0000	AID485364
Smad3	Homo sapiens (human)	Potency	5.6234	0.0052	7.8098	29.0929	AID588855
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	8.9125	0.7079	12.1943	39.8107	AID720542
67.9K protein	Vaccinia virus	Potency	11.2202	0.0001	8.4406	100.0000	AID720579; AID720580
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	8.9125	0.7079	36.9043	89.1251	AID504333
IDH1	Homo sapiens (human)	Potency	23.1093	0.0052	10.8652	35.4813	AID686970
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	2.2387	0.0355	20.9770	89.1251	AID504332
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	8.9125	0.5406	17.6392	96.1227	AID2528
NPC intracellular cholesterol transporter 1 precursor	Homo sapiens (human)	Potency	0.2818	0.0126	2.4518	25.0177	AID485313
runt-related transcription factor 1 isoform AML1b	Homo sapiens (human)	Potency	11.2202	0.0200	7.9858	39.8107	AID504375
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	100.0000	0.3548	28.0659	89.1251	AID504847
chromobox protein homolog 1	Homo sapiens (human)	Potency	10.0000	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	0.1636	0.0041	9.9848	25.9290	AID504444
core-binding factor subunit beta isoform 2	Homo sapiens (human)	Potency	11.2202	0.0200	7.9858	39.8107	AID504375
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
pyruvate kinase PKM isoform a	Homo sapiens (human)	Potency	3.9811	0.0401	7.4590	31.6228	AID1631; AID1634
DNA polymerase beta	Homo sapiens (human)	Potency	3.1623	0.0224	21.0102	89.1251	AID485314
flap endonuclease 1	Homo sapiens (human)	Potency	62.9025	0.1337	25.4129	89.1251	AID588795; AID720498
snurportin-1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
DNA polymerase eta isoform 1	Homo sapiens (human)	Potency	7.7718	0.1000	28.9256	213.3130	AID588591; AID720502
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	12.9804	0.0501	27.0736	89.1251	AID588590; AID720496
urokinase-type plasminogen activator precursor	Mus musculus (house mouse)	Potency	0.8913	0.1585	5.2879	12.5893	AID540303
plasminogen precursor	Mus musculus (house mouse)	Potency	0.8913	0.1585	5.2879	12.5893	AID540303
urokinase plasminogen activator surface receptor precursor	Mus musculus (house mouse)	Potency	0.8913	0.1585	5.2879	12.5893	AID540303
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	7.0795	0.0079	8.2332	1,122.0200	AID2546
geminin	Homo sapiens (human)	Potency	29.0929	0.0046	11.3741	33.4983	AID624296; AID624297
DNA polymerase kappa isoform 1	Homo sapiens (human)	Potency	11.2202	0.0316	22.3146	100.0000	AID588579
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	19.9526	0.0041	9.9625	28.1838	AID2675
Rap guanine nucleotide exchange factor 3	Homo sapiens (human)	Potency	28.1838	6.3096	60.2008	112.2020	AID720709
phosphoglycerate kinase	Trypanosoma brucei brucei TREU927	Potency	4.0554	0.0757	8.4742	29.0628	AID602233; AID686980
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
SUMO-1	Homo sapiens (human)	IC50 (µMol)	47.1067	0.6470	7.4947	15.9000	AID624382; AID624383
integrase, partial	Human immunodeficiency virus 1	IC50 (µMol)	3.5805	0.0795	3.5203	9.9390	AID1053171; AID1053172
lens epithelium-derived growth factor p75	Homo sapiens (human)	IC50 (µMol)	3.5805	0.0795	3.5203	9.9390	AID1053171; AID1053172
Mcl-1	Homo sapiens (human)	IC50 (µMol)	2.4198	0.4000	7.1344	54.0000	AID1417
Ubiquitin-like modifier activating enzyme 2	Homo sapiens (human)	IC50 (µMol)	12.5500	0.6200	16.3255	90.4600	AID2006; AID2018
SUMO1 activating enzyme subunit 1	Homo sapiens (human)	IC50 (µMol)	12.5500	0.6200	16.3255	90.4600	AID2006; AID2018
Myeloid cell leukemia sequence 1 (BCL2-related)	Homo sapiens (human)	IC50 (µMol)	5.4780	0.4415	3.7529	5.4780	AID2217
SUMO-conjugating enzyme UBC9	Homo sapiens (human)	IC50 (µMol)	12.5500	0.6200	16.3255	90.4600	AID2006; AID2018
bifunctional UDP-N-acetylglucosamine pyrophosphorylase/glucosamine-1-phosphate N-acetyltransferase	Mycobacterium tuberculosis H37Rv	IC50 (µMol)	82.7000	3.9100	83.9944	180.9200	AID1376
Endothelin-1 receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	10.0000	0.0000	1.7746	10.0000	AID338305
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (20)

Process	via Protein(s)	Taxonomy
angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
adaptive immune response	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
associative learning	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
Rap protein signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of actin cytoskeleton organization	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
negative regulation of syncytium formation by plasma membrane fusion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
intracellular signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of GTPase activity	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of protein export from nucleus	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of stress fiber assembly	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of syncytium formation by plasma membrane fusion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
establishment of endothelial barrier	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cellular response to cAMP	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Process	via Protein(s)	Taxonomy
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
protein domain specific binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Process	via Protein(s)	Taxonomy
plasma membrane	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cortical actin cytoskeleton	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
microvillus	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
endomembrane system	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
lamellipodium	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
filopodium	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
extracellular exosome	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (36)

Assay ID	Title	Year	Journal	Article
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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.
AID1503177	Cytotoxicity against human SupT1 cells assessed as decrease in cell viability after 48 hrs by CCK-8 assay	2017	Journal of natural products, 10-27, Volume: 80, Issue:10	Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities.
AID378776	Cytotoxicity against BC cells at 50 ug/ml by SRB assay	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.
AID338306	Antimicrobial activity against Escherichia coli at <200 ppm	2002	Journal of natural products, Jan, Volume: 65, Issue:1	New chlorinated diphenyl ethers from an Aspergillus species.
AID1503175	Antiviral activity against VSV-G pseudotyped HIV1 infected in human SupT1 cells at 100 uM after 48 hrs by luciferase reporter gene assay relative to control	2017	Journal of natural products, 10-27, Volume: 80, Issue:10	Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities.
AID378490	Antimycobacterial activity against Mycobacterium tuberculosis H37Ra by microplate alamar blue assay	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.
AID1435965	Cytotoxicity against human MCF7 cells assessed as growth inhibition at 10 uM measured after 72 hrs by CCK-8 assay relative to control
AID1272001	Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as formation of para-nitrophenol preincubated for 5 mins followed by addition of substrate measured after 15 mins by microplate read	2016	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2	Polyketide butenolide, diphenyl ether, and benzophenone derivatives from the fungus Aspergillus flavipes PJ03-11.
AID1435967	Cytotoxicity against human Jurkat cells assessed as growth inhibition at 10 uM measured after 72 hrs by CCK-8 assay relative to control
AID338305	Displacement of endothelin-1 from ETA receptor in rat A10 cells	2002	Journal of natural products, Jan, Volume: 65, Issue:1	New chlorinated diphenyl ethers from an Aspergillus species.
AID378492	Cytotoxicity against human KB cells at 50 ug/ml by SRB assay	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.
AID338307	Antimicrobial activity against Gaeumannomyces graminis var. tritici at <200 ppm	2002	Journal of natural products, Jan, Volume: 65, Issue:1	New chlorinated diphenyl ethers from an Aspergillus species.
AID1435968	Cytotoxicity against human A549 cells assessed as growth inhibition at 10 uM measured after 72 hrs by CCK-8 assay relative to control
AID338309	Antinematodal activity against Caenorhabditis elegans after 16 to 24 hrs	2002	Journal of natural products, Jan, Volume: 65, Issue:1	New chlorinated diphenyl ethers from an Aspergillus species.
AID664503	Cytotoxicity against human MCF7 cells at 100 uM after 96 hrs by MTT assay	2012	Journal of natural products, Apr-27, Volume: 75, Issue:4	Asperjinone, a nor-neolignan, and terrein, a suppressor of ABCG2-expressing breast cancer cells, from thermophilic Aspergillus terreus.
AID1503176	Antiviral activity against VSV-G pseudotyped HIV1 infected in human SupT1 cells after 48 hrs by luciferase reporter gene assay	2017	Journal of natural products, 10-27, Volume: 80, Issue:10	Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities.
AID378491	Cytotoxicity against african green monkey Vero cells at 50 ug/ml by SRB assay	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.
AID378775	Cytotoxicity against human NCI-H187 cells at 50 ug/ml by SRB assay	2006	Journal of natural products, Sep, Volume: 69, Issue:9	Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.
AID1435966	Cytotoxicity against human HepG2 cells assessed as growth inhibition at 10 uM measured after 72 hrs by CCK-8 assay relative to control
AID1435969	Cytotoxicity against human K562 cells assessed as growth inhibition at 10 uM measured after 72 hrs by CCK-8 assay relative to control
AID338308	Antimicrobial activity against Rhizoctonia solani at <200 ppm	2002	Journal of natural products, Jan, Volume: 65, Issue:1	New chlorinated diphenyl ethers from an Aspergillus species.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (24)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	2 (8.33)	18.2507
2000's	6 (25.00)	29.6817
2010's	10 (41.67)	24.3611
2020's	6 (25.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 19.45

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	19.45 (24.57)
Research Supply Index	3.22 (2.92)
Research Growth Index	5.03 (4.65)
Search Engine Demand Index	15.26 (26.88)
Search Engine Supply Index	2.00 (0.95)

This Compound (19.45)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (4.17%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	23 (95.83%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	2.41	2	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
funiculosin (anthraquinone) funiculosin (anthraquinone): see also a pyridone cpd called funiculosin; structure	1.98	1	trihydroxyanthraquinone
physcione physcione: structure. physcion : A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources.	2.04	1	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite
benomyl [no description available]	1.98	1	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.31	1	benzenes; phenyl acetates
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	2.07	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
lamivudine [no description available]	2.15	1	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.15	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
skyrin skyrin: main pigment of toxin rice fungus Penicillium islandicum; RN given refers to parent cpd; structure	1.98	1	biaryl; trihydroxyanthraquinone
sulochrin [no description available]	2.76	3	benzophenones; carboxylic ester; phenols	metabolite
questin [no description available]	2.42	2	dihydroxyanthraquinone
bisdechlorogeodin bisdechlorogeodin: a fungus-derived nucleoside transport inhibitor; structure given in first source	2.01	1	1-benzofurans; cyclohexadiene; methyl ester; oxaspiro compound	antimicrobial agent
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.47	2
tryptoquivaline fumitremorgin C : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi. A potent and specific inhibitor of the breast cancer resistance protein multidrug transporter.	2.07	1	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
sesquiterpenes [no description available]	2.25	1
quercetin [no description available]	2.13	1	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
estin geodin: structure given in first source. (+)-geodin : An oxaspiro compound that is 3H,4'H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione substituted by methoxycarbonyl, hydroxy, chloro, methyl, methoxy and chloro groups at positions 2', 4, 5, 6, 6' and 7, respectively. It is a fungal metabolite isolated from Aspergillus terreus and Penicillium glabrum.	2.47	2	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite
hygromycin b [no description available]	1.98	1
butyrolactone i butyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first source	2.07	1	butenolide
aspulvinone E 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one : A member of the class of butenolides that is furan-2(5H)-one substituted by 4-hydroxyphenyl, hydroxy and 4-hydroxybenzylidene groups at positions 3, 4 and 5, respectively.. aspulvinone E : A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.	2.54	2	4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one; aspulvinone	antiviral agent; Aspergillus metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; marine metabolite

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Breast Cancer [description not available]	2.07	1
Breast Neoplasms Tumors or cancer of the human BREAST.	2.07	1

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