lissamine rhodamine b profile

Lissamine rhodamine B (LRB) is a fluorescent dye commonly used in biological research. It is a derivative of rhodamine B, modified with a sulfonated xanthene ring system. LRB is known for its bright red fluorescence and its ability to label various biological molecules, including proteins, antibodies, and nucleic acids. It exhibits high photostability and is water-soluble, making it suitable for various microscopy applications. LRB is widely employed as a fluorescent probe in techniques like immunofluorescence microscopy, flow cytometry, and fluorescence-activated cell sorting (FACS). Its strong fluorescence allows for sensitive detection and quantification of labeled targets. LRB is synthesized through a multi-step process involving the reaction of rhodamine B with a sulfonating agent. The synthesis involves protecting the amine group of rhodamine B, followed by sulfonation, and finally, deprotection to obtain the final product. LRB's unique properties, such as high fluorescence quantum yield and excellent water solubility, have made it an indispensable tool in various fields, including cell biology, immunology, and molecular diagnostics.'

lissamine rhodamine B: RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. [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]

ID Source	ID
PubMed CID	65191
CHEMBL ID	4302011
SCHEMBL ID	18483
MeSH ID	M0077618
PubMed CID	9916275
CHEMBL ID	1306565
SCHEMBL ID	16593265
MeSH ID	M0077618

Synonym
2609-88-3
xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt
[6-(diethylamino)-9-(2,4-disulfophenyl)xanthen-3-ylidene]-diethyl-ammonium
kayaku acid rhodamine bh
food color red no. 106
sulforhodamine b
xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
lissamine rhodamine b
sulforhodamine b, acid form, laser grade, dye content 95 %
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h- xanthen-3-ylidene)-n-ethylethanaminium, hydroxide, inner salt, sodium salt
einecs 220-025-2
hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium
sulforhodamine b, acid form
SCHEMBL18483
neolan red e-xb 400 fa
DTXSID4048068
AKOS024370868
sulforhodamineb
3,6-bis(diethylamino)-9-(2,4-disulfophenyl)xanthylium hydroxide inner salt, 9ci
[6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene]diethylammonium, 8ci
3520-42-1 (sodium salt)
2-(6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl)-5-sulfobenzenesulfonate
Q2452042
E79436
2-(3,6-bis(diethylamino)xanthylium-9-yl)-5-sulfobenzenesulfonate
sulfo-rhodamine-b
sulforhodamine-b
CHEMBL4302011
CS-0066074
HY-117468
ccris 2446
erio acid red xbc
acid red xb
erio acid red xb
acid leather red kb
n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)-n- -ethyl ethanaminium, hydroxide, inner salt, sodium salt
aizen food red no. 106
brilliant acid rhodamine b
fenazo pink xxb
xylene red
c.i. acid red 52
acid rhodamine b
hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, sodium salt
food red 106
pontacyl brilliant pink
xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt
c.i. 45100
amacid rhodamine b
amido rhodamine b
xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, sodium salt
ammonium, (6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)diethyl-, hydroxide, inner salt, sodium salt
ci 45100
brilliant superlan rhodamine b
xylene red b
ethanaminium, n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)-n- -ethyl-, hydroxide, inner salt, sodium salt
n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)-n- -ethylethanaminium, hydroxide, inner salt, sodium salt
red 106
lissamine rhodamine
einecs 222-529-8
red no. 106
brilliant superlan rhodamine 2b
solar rhodamine b
acid red 52
food red no. 106
kiton rhodamine b
3520-42-1
sodium 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate
A0600
AKOS000283079
F0143
NCGC00257634-01
tox21_200080
dtxcid601333854
cas-3520-42-1
dtxsid7021235 ,
C20348
CHEMBL1306565
HMS2883G10
821lwz3r6r ,
unii-821lwz3r6r
xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1)
FT-0621855
11119-62-3
AKOS015903434
MLS003878226
S5976
acid red 52 [inci]
vibracolor red are52
phloxine rhodamine
n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)-n-ethyl ethanaminium, hydroxide, inner salt, sodium salt
aka106 [inci]
ci acid red 52
ci 45100 [inci]
japan red 106
covacap rose w 4102
ethanaminium, n-(6-(diethylamino)-9-(2,4-disulfophenyl)-3h-xanthen-3-ylidene)-n-ethyl-, hydroxide, inner salt, sodium salt
sodium 4-(6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl)benzene-1,3-disulfonate
sulforhodamine b sodium salt
sodium;4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate
SCHEMBL16593265
mfcd00010180
kiton red s
J-020000
sulforhodamine b (sodium salt)
SXQCTESRRZBPHJ-UHFFFAOYSA-M
sodium 4-(3,6-bis(diethylamino)xanthylium-9-yl)benzene-1,3-disulfonate
acid red 52;kiton red 620
c.i.acid red 52
H11924
acid red 52; kiton red 620
acid red 52 100 microg/ml in acetonitrile
SY048598
acidred52

Excerpt	Reference	Relevance
"The penetration of sulforhodamine B (SRB) into the two corneas of a freshly killed mouse was measured after one eye was briefly exposed to a solution of a possibly toxic substance."	( A permeability test for acute corneal toxicity. Maurice, D; Singh, T, 1986)	0.27
" Both techniques indicated that Apexit was the least toxic sealer."	( Comparison between Sulphorhodamine-B dye staining and 51Cr-release method in cytotoxicity assay of endodontic sealers. Leelaphiwat, S; Sithisarn, P; Vajrabhaya, L; Wilairat, P, 1997)	0.3
" Cisplatin reduced body weight gain and spleen weight during treatment and was much more toxic than NAMI-A on liver sinusoids, kidney tubules, and lung epithelium."	( In vitro cell cycle arrest, in vivo action on solid metastasizing tumors, and host toxicity of the antimetastatic drug NAMI-A and cisplatin. Alessio, E; Bergamo, A; Furlani, A; Gagliardi, R; Mestroni, G; Sava, G; Scarcia, V, 1999)	0.3
"Therapies including nucleoside analogs are associated with severe toxic side effects and acquirement of drug resistance."	( Formulations of biodegradable Nanogel carriers with 5'-triphosphates of nucleoside analogs that display a reduced cytotoxicity and enhanced drug activity. Han, HY; Kohli, E; Vinogradov, SV; Zeman, AD, 2007)	0.34
"The purpose of this study was to investigate whether water samples from water ecosystems of Serbia, unknown so far with regard to cyanotoxin levels, are the source of toxic compounds originating from the biological activity of cyanobacteria."	( In vitro cytotoxicity of cyanobacteria from water ecosystems of Serbia. Baltic, VV; Cetojevic-Simin, D; Svircev, Z, )	0.13
" These data support strongly that AFL is safe and sufficient for transcutaneous delivery of drugs and vaccines."	( Facilitation of transcutaneous drug delivery and vaccine immunization by a safe laser technology. Anderson, RR; Chen, X; Kositratna, G; Manstein, D; Shah, D; Wu, MX, 2012)	0.38
" Although inhalation is the most common pathway of exposure, reports on the toxic effects induced by HMs in human lung are contradictory."	( Halomethane-induced cytotoxicity and cell proliferation in human lung MRC-5 fibroblasts and NL20-TA epithelial cells. Domínguez-López, ML; García-Latorre, EA; Nájera-Martínez, M; Reyes-Maldonado, E; Vega-López, A, 2012)	0.38
"T30 peptide and β-amyloid each have toxic effects on PC12 cells, comparable to hydrogen peroxide(."	( Additive toxicity of β-amyloid by a novel bioactive peptide in vitro: possible implications for Alzheimer's disease. Garcia-Ratés, S; Greenfield, S; Lewis, M; Worrall, R, 2013)	0.39
" The subsequent enhanced release of acetylcholinesterase from the extant cells could reflect a primary 'compensatory' response of cells prone to degeneration, paradoxically providing further availability of the toxic C-terminal peptide to modulate the potency of β-amyloid."	( Additive toxicity of β-amyloid by a novel bioactive peptide in vitro: possible implications for Alzheimer's disease. Garcia-Ratés, S; Greenfield, S; Lewis, M; Worrall, R, 2013)	0.39

Excerpt	Reference	Relevance
"To improve the oral bioavailability of poorly water-soluble cyclosporin A (CyA), polymeric micelles based on monomethoxy poly(ethylene glycol)-b-poly(d,l-lactic acid) (mPEG-PLA) were prepared."	( Cyclosporin A-loaded poly(ethylene glycol)-b-poly(d,l-lactic acid) micelles: preparation, in vitro and in vivo characterization and transport mechanism across the intestinal barrier. Fan, Y; Huang, Y; Li, X; Liu, Y; Wang, X; Zhang, Y; Zhou, Y, 2010)	0.36
" However, the bioavailability of cellularly expressed or purified laccases in continuous operations is usually limited by mass transfer impediment or enzyme regeneration difficulty."	( Decolorization of industrial synthetic dyes using engineered Pseudomonas putida cells with surface-immobilized bacterial laccase. Li, L; Li, Q; Ni, H; Wang, W; Yang, X; Zhang, Z, 2012)	0.38
" In vivo studies in rats showed that PPS enhanced relative bioavailability of sCT by 45-fold after intestinal administration."	( A permeation enhancer for increasing transport of therapeutic macromolecules across the intestine. Doshi, N; Gupta, V; Hwang, BH; Mitragotri, S, 2013)	0.39
" Besides its effectiveness, it is a poorly water soluble drug with low bioavailability and low half-life (34-90 min), therefore, the development of new formulations of dihydroartemisinin to increase bioavailability is in great need."	( Strategy to provide a useful solution to effective delivery of dihydroartemisinin: development, characterization and in vitro studies of liposomal formulations. Bergonzi, MC; Bilia, AR; Coronnello, M; Isacchi, B; Mastrantoni, A; Mini, E; Righeschi, C, 2014)	0.4
" This study confirms the importance of the natural micro-oxidative processes that occur during the ageing of anthocyanin-containing food and their impact on their bioavailability and bioactivity properties."	( Bioavailability studies and anticancer properties of malvidin based anthocyanins, pyranoanthocyanins and non-oxonium derivatives. de Freitas, V; Fernandes, I; He, J; Mateus, N; Oliveira, H; Oliveira, J; Wang, J; Wu, N; Zhang, Q, 2016)	0.43
" Interestingly the sEPD significantly improved zidovudine bioavailability by ~100% as compared to oral gavage delivery."	( Sustained epidermal powder drug delivery via skin microchannels. Cao, Y; Chen, X; Hossen, MN; Kakar, P; Wu, MX, 2017)	0.46

Excerpt	Relevance	Reference
" Radiobiological parameters calculated from a linear quadratic model (SF2, alpha, beta) as well as from a single-hit multitarget model (D(o), Dq, n) and from the area under the dose-response curve (mean inactivation dose; MID) were compared."	( Comparison of sulforhodamine B, tetrazolium and clonogenic assays for in vitro radiosensitivity testing in human ovarian cell lines. Griffon, G; Marchal, C; Merlin, JL, 1995)	0.29
" For each test agent, a dose-response profile was generated by using an MTT (3-(4,5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide) and an SRB (sulforhodamine B) assay."	( Comparison of antitumor activity of vitamins K1, K2 and K3 on human tumor cells by two (MTT and SRB) cell viability assays. Chang, HM; Liao, WC; Wu, FY, 1993)	0.29
"The dose-response curves obtained with the SRB assay and the CA were very similar up to 6 Gy."	( Comparison of the sulforhodamine B assay and the clonogenic assay for in vitro chemoradiation studies. Baay, MF; de Pooter, CM; Korst, AE; Lambrechts, HA; Lardon, F; Pattyn, GG; Pauwels, B; Vermorken, JB, 2003)	0.32
" However, a biphasic dose-response relationship compromises its straightforward development as a chemotherapeutic agent."	( Fluorinated 2-(4-amino-3-methylphenyl)benzothiazoles induce CYP1A1 expression, become metabolized, and bind to macromolecules in sensitive human cancer cells. Alley, MC; Bradshaw, TD; Brantley, E; Hose, CD; Sausville, EA; Stevens, MF; Stinson, SF; Trapani, V, 2004)	0.32
" Parenteral depots including biodegradable polymer microspheres offer the possibility of reduced dosing frequency but are limited by the inability to adequately control delivery rates."	( Macromolecule release from monodisperse PLG microspheres: control of release rates and investigation of release mechanism. Berkland, C; Kim, K'; Pack, DW; Pollauf, E; Raman, C; Silverman, R, 2007)	0.34
" The effect of different reaction parameters such as different iron ions loading on rice husk ash (RHA), dosage of catalyst, initial pH, the initial hydrogen peroxide concentration ([H(2)O(2)](o)), the initial concentration of AR1 ([AR1](o)) and the reaction temperature on the decolorization of AR1 was studied."	( Decolorization of Acid Red 1 by Fenton-like process using rice husk ash-based catalyst. Daud, NK; Hameed, BH, 2010)	0.36
" Despite their abilities to avoid swallowing difficulties, frequency of dosing stood as a barrier for these formulations."	( Nano-engineering chitosan particles to sustain the release of promethazine from orodispersables. Al-Kinani, A; Alany, RG; ElShaer, A; Elwerfalli, AM, 2015)	0.42
" Despite its relevance, there is not a standard form for the in vitro endpoint tumor cell lines' assays (TCLA) that enables the evaluation of the cytotoxic dose-response effects of anti-tumor drugs."	( Mathematical models of cytotoxic effects in endpoint tumor cell line assays: critical assessment of the application of a single parametric value as a standard criterion to quantify the dose-response effects and new unexplored proposal formats. Calhelha, RC; Ferreira, ICFR; Martínez, MA; Prieto, MA, 2017)	0.46
" time, concentration, adsorbent dosage and pH."	( Polymeric nanocomposites for the removal of Acid red 52 dye from aqueous solutions: Synthesis, characterization, kinetic and isotherm studies. Azarudeen, RS; Gnanaprakasam, A; Gouthaman, A; Sivakumar, VM; Thirumarimurugan, M, 2018)	0.48
" The effects of pH, contact time, temperature, initial concentration of AR-18 and the AC-CS dosage on the adsorption efficiency were investigated."	( Chitosan/lemon residues activated carbon efficiently removal of acid red 18 from aqueous solutions: batch study, isotherm and kinetics. Liu, Y; Shen, W; Wei, J; Xu, Y, 2023)	0.91
" The different parameters affecting removal of the dye, such as pH, initial concentration of dye, content of CNCs, temperature and adsorbent dosage were investigated."	( Biodegradable cellulose nanocrystals hydrogels for removal of acid red 8 dye from aqueous solutions. Abdelaziz, RM; El-Demerdash, AM; El-Maghraby, A; Fadl, EA; Sadik, WA, 2022)	0.72

Role	Description
fluorochrome	A fluorescent dye used to stain biological specimens.
histological dye	A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
fluorescent probe	A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
[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
organic sodium salt
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	26.6795	0.0032	45.4673	12,589.2998	AID2517
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	28.1838	0.1409	11.1940	39.8107	AID2451
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	50.1187	0.6310	35.7641	100.0000	AID504339
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	63.0957	5.6234	17.2929	31.6228	AID485281
Luciferase	Photinus pyralis (common eastern firefly)	Potency	17.7632	0.0072	15.7588	89.3584	AID1224835; AID588342
acetylcholinesterase	Homo sapiens (human)	Potency	41.2042	0.0025	41.7960	15,848.9004	AID1347398
WRN	Homo sapiens (human)	Potency	79.4328	0.1683	31.2583	100.0000	AID651768
phosphopantetheinyl transferase	Bacillus subtilis	Potency	89.1251	0.1413	37.9142	100.0000	AID1490
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	55.7198	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
USP1 protein, partial	Homo sapiens (human)	Potency	31.6228	0.0316	37.5844	354.8130	AID743255
GLS protein	Homo sapiens (human)	Potency	8.9125	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	7.3078	0.0008	11.3822	44.6684	AID686978; AID686979
AR protein	Homo sapiens (human)	Potency	25.0613	0.0002	21.2231	8,912.5098	AID1259243; AID1259247; AID743042; AID743054
Smad3	Homo sapiens (human)	Potency	31.6228	0.0052	7.8098	29.0929	AID588855
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	14.1254	0.7079	12.1943	39.8107	AID720542
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	28.1654	0.0010	22.6508	76.6163	AID1224838; AID1224893
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	79.4328	0.5318	15.4358	37.6858	AID504845
isocitrate dehydrogenase 1, partial	Homo sapiens (human)	Potency	2.2387	6.3096	27.0990	79.4328	AID602179
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	23.7204	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	30.9223	0.0015	30.6073	15,848.9004	AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	17.6448	0.0002	29.3054	16,493.5996	AID1259244; AID1259248; AID743079; AID743080; AID743091
67.9K protein	Vaccinia virus	Potency	10.6101	0.0001	8.4406	100.0000	AID720579; AID720580
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	7.9433	0.7079	36.9043	89.1251	AID504333
pyruvate kinase	Leishmania mexicana mexicana	Potency	15.8489	0.3981	13.7447	31.6228	AID1721; AID1722
IDH1	Homo sapiens (human)	Potency	14.5810	0.0052	10.8652	35.4813	AID686970
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	39.8107	0.0355	20.9770	89.1251	AID504332
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	35.4582	0.0017	23.8393	78.1014	AID743083
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	21.5815	0.0016	28.0151	77.1139	AID1224843; AID1224895; AID1259385; AID1259393; AID1259395
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	17.9321	0.0578	21.1097	61.2679	AID1159528
Histone H2A.x	Cricetulus griseus (Chinese hamster)	Potency	9.2683	0.0391	47.5451	146.8240	AID1224845
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	25.1189	0.5406	17.6392	96.1227	AID2528
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	39.8107	0.3548	28.0659	89.1251	AID504847
chromobox protein homolog 1	Homo sapiens (human)	Potency	44.6684	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	18.3564	0.0041	9.9848	25.9290	AID504444
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	35.4582	0.0003	23.4451	159.6830	AID743065; AID743067
histone deacetylase 9 isoform 3	Homo sapiens (human)	Potency	37.6214	0.0376	17.0823	61.1927	AID1259364; AID1259388
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	44.4384	5.8048	36.1306	65.1308	AID540253; AID540263
DNA polymerase beta	Homo sapiens (human)	Potency	5.0119	0.0224	21.0102	89.1251	AID485314
flap endonuclease 1	Homo sapiens (human)	Potency	28.1838	0.1337	25.4129	89.1251	AID588795
ubiquitin carboxyl-terminal hydrolase 2 isoform a	Homo sapiens (human)	Potency	11.2202	0.6561	9.4520	25.1189	AID463254
serine/threonine-protein kinase PLK1	Homo sapiens (human)	Potency	6.7016	0.1683	16.4040	67.0158	AID720504
eyes absent homolog 2 isoform a	Homo sapiens (human)	Potency	31.6228	1.1998	14.6419	50.1187	AID488837
snurportin-1	Homo sapiens (human)	Potency	44.4384	5.8048	36.1306	65.1308	AID540253; AID540263
histone-lysine N-methyltransferase 2A isoform 2 precursor	Homo sapiens (human)	Potency	14.1254	0.0103	23.8567	63.0957	AID2662
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	33.8078	0.4256	12.0591	28.1838	AID504891
tumor susceptibility gene 101 protein	Homo sapiens (human)	Potency	20.6062	0.1298	10.8331	32.6090	AID493005; AID651599; AID651600
GTP-binding nuclear protein Ran isoform 1	Homo sapiens (human)	Potency	32.6427	5.8048	16.9962	25.9290	AID540253
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	17.7828	0.0079	8.2332	1,122.0200	AID2546
DNA polymerase kappa isoform 1	Homo sapiens (human)	Potency	19.9526	0.0316	22.3146	100.0000	AID588579
Vpr	Human immunodeficiency virus 1	Potency	12.5893	1.5849	19.6264	63.0957	AID651644
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	0.2512	0.0041	9.9625	28.1838	AID2675
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	14.1254	0.2512	15.8432	39.8107	AID504327
relaxin receptor 1 isoform 1	Homo sapiens (human)	Potency	28.1838	0.0388	14.3501	43.6206	AID2676
Voltage-dependent calcium channel gamma-2 subunit	Mus musculus (house mouse)	Potency	14.1161	0.0015	57.7890	15,848.9004	AID1259244
Rap guanine nucleotide exchange factor 3	Homo sapiens (human)	Potency	81.5478	6.3096	60.2008	112.2020	AID720707; AID720709
Glycoprotein hormones alpha chain	Homo sapiens (human)	Potency	31.6228	4.4668	8.3448	10.0000	AID624291
Glutamate receptor 2	Rattus norvegicus (Norway rat)	Potency	14.1161	0.0015	51.7393	15,848.9004	AID1259244
Endothelin receptor type B	Rattus norvegicus (Norway rat)	Potency	15.8489	0.5623	15.1609	31.6228	AID1721
Endothelin-1 receptor	Rattus norvegicus (Norway rat)	Potency	15.8489	0.5623	15.1609	31.6228	AID1721
Alpha-synuclein	Homo sapiens (human)	Potency	7.9433	0.5623	9.3985	25.1189	AID652106
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	10.0000	1.9953	25.5327	50.1187	AID624288
TAR DNA-binding protein 43	Homo sapiens (human)	Potency	11.2202	1.7783	16.2081	35.4813	AID652104
Rap guanine nucleotide exchange factor 4	Homo sapiens (human)	Potency	100.6636	3.9811	46.7448	112.2020	AID720708; AID720711
phosphoglycerate kinase	Trypanosoma brucei brucei TREU927	Potency	11.2202	0.0757	8.4742	29.0628	AID602233
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
metallo beta-lactamase	Pseudomonas aeruginosa	IC50 (µMol)	59.6400	0.0339	2.9100	6.2480	AID2754
metallo-beta-lactamase IMP-1	Pseudomonas aeruginosa	IC50 (µMol)	59.6400	3.2410	5.9685	8.6960	AID2756
photoreceptor-specific nuclear receptor	Homo sapiens (human)	IC50 (µMol)	39.8410	0.0374	2.9340	8.9620	AID2758
nuclear receptor corepressor 2 isoform 2	Homo sapiens (human)	IC50 (µMol)	1.0250	1.0250	4.3611	9.9550	AID2759
peroxisome proliferator-activated receptor gamma isoform 2	Homo sapiens (human)	IC50 (µMol)	1.0250	1.0250	4.3611	9.9550	AID2759
Muscarinic acetylcholine receptor M1	Homo sapiens (human)	Ki	1,000.0000	0.0000	0.5972	9.1201	AID714458
B1 bradykinin receptor	Homo sapiens (human)	IC50 (µMol)	59.6400	0.0009	1.6209	3.2410	AID2756
Beta lactamase (plasmid)	Pseudomonas aeruginosa	IC50 (µMol)	59.6400	0.7091	5.0549	7.7510	AID2755
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
histone-lysine N-methyltransferase NSD2 isoform 1	Homo sapiens (human)	AC50	20.0000	0.2930	7.3070	19.4400	AID1053173
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

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)
G protein-coupled receptor signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of cell population proliferation	Glycoprotein hormones alpha chain	Homo sapiens (human)
hormone-mediated signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
regulation of signaling receptor activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of steroid biosynthetic process	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of cell migration	Glycoprotein hormones alpha chain	Homo sapiens (human)
thyroid gland development	Glycoprotein hormones alpha chain	Homo sapiens (human)
luteinizing hormone secretion	Glycoprotein hormones alpha chain	Homo sapiens (human)
organ growth	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Glycoprotein hormones alpha chain	Homo sapiens (human)
negative regulation of organ growth	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone secretion	Glycoprotein hormones alpha chain	Homo sapiens (human)
thyroid hormone generation	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of monoatomic ion transport	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
signal transduction	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
neuromuscular synaptic transmission	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
nervous system development	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
regulation of locomotion	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
saliva secretion	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
cognition	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
regulation of glial cell proliferation	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
positive regulation of intracellular protein transport	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
postsynaptic modulation of chemical synaptic transmission	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
chemical synaptic transmission	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
calcium ion homeostasis	Alpha-synuclein	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Alpha-synuclein	Homo sapiens (human)
microglial cell activation	Alpha-synuclein	Homo sapiens (human)
positive regulation of receptor recycling	Alpha-synuclein	Homo sapiens (human)
positive regulation of neurotransmitter secretion	Alpha-synuclein	Homo sapiens (human)
negative regulation of protein kinase activity	Alpha-synuclein	Homo sapiens (human)
fatty acid metabolic process	Alpha-synuclein	Homo sapiens (human)
neutral lipid metabolic process	Alpha-synuclein	Homo sapiens (human)
phospholipid metabolic process	Alpha-synuclein	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	Alpha-synuclein	Homo sapiens (human)
mitochondrial membrane organization	Alpha-synuclein	Homo sapiens (human)
adult locomotory behavior	Alpha-synuclein	Homo sapiens (human)
response to xenobiotic stimulus	Alpha-synuclein	Homo sapiens (human)
response to iron(II) ion	Alpha-synuclein	Homo sapiens (human)
regulation of phospholipase activity	Alpha-synuclein	Homo sapiens (human)
negative regulation of platelet-derived growth factor receptor signaling pathway	Alpha-synuclein	Homo sapiens (human)
regulation of glutamate secretion	Alpha-synuclein	Homo sapiens (human)
regulation of dopamine secretion	Alpha-synuclein	Homo sapiens (human)
synaptic vesicle exocytosis	Alpha-synuclein	Homo sapiens (human)
synaptic vesicle priming	Alpha-synuclein	Homo sapiens (human)
regulation of transmembrane transporter activity	Alpha-synuclein	Homo sapiens (human)
negative regulation of microtubule polymerization	Alpha-synuclein	Homo sapiens (human)
receptor internalization	Alpha-synuclein	Homo sapiens (human)
protein destabilization	Alpha-synuclein	Homo sapiens (human)
response to magnesium ion	Alpha-synuclein	Homo sapiens (human)
negative regulation of transporter activity	Alpha-synuclein	Homo sapiens (human)
response to lipopolysaccharide	Alpha-synuclein	Homo sapiens (human)
negative regulation of monooxygenase activity	Alpha-synuclein	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation	Alpha-synuclein	Homo sapiens (human)
response to type II interferon	Alpha-synuclein	Homo sapiens (human)
cellular response to oxidative stress	Alpha-synuclein	Homo sapiens (human)
SNARE complex assembly	Alpha-synuclein	Homo sapiens (human)
positive regulation of SNARE complex assembly	Alpha-synuclein	Homo sapiens (human)
regulation of locomotion	Alpha-synuclein	Homo sapiens (human)
dopamine biosynthetic process	Alpha-synuclein	Homo sapiens (human)
mitochondrial ATP synthesis coupled electron transport	Alpha-synuclein	Homo sapiens (human)
regulation of macrophage activation	Alpha-synuclein	Homo sapiens (human)
positive regulation of apoptotic process	Alpha-synuclein	Homo sapiens (human)
negative regulation of apoptotic process	Alpha-synuclein	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	Alpha-synuclein	Homo sapiens (human)
negative regulation of neuron apoptotic process	Alpha-synuclein	Homo sapiens (human)
positive regulation of endocytosis	Alpha-synuclein	Homo sapiens (human)
negative regulation of exocytosis	Alpha-synuclein	Homo sapiens (human)
positive regulation of exocytosis	Alpha-synuclein	Homo sapiens (human)
regulation of long-term neuronal synaptic plasticity	Alpha-synuclein	Homo sapiens (human)
synaptic vesicle endocytosis	Alpha-synuclein	Homo sapiens (human)
synaptic vesicle transport	Alpha-synuclein	Homo sapiens (human)
positive regulation of inflammatory response	Alpha-synuclein	Homo sapiens (human)
regulation of acyl-CoA biosynthetic process	Alpha-synuclein	Homo sapiens (human)
protein tetramerization	Alpha-synuclein	Homo sapiens (human)
positive regulation of release of sequestered calcium ion into cytosol	Alpha-synuclein	Homo sapiens (human)
neuron apoptotic process	Alpha-synuclein	Homo sapiens (human)
dopamine uptake involved in synaptic transmission	Alpha-synuclein	Homo sapiens (human)
negative regulation of dopamine uptake involved in synaptic transmission	Alpha-synuclein	Homo sapiens (human)
negative regulation of serotonin uptake	Alpha-synuclein	Homo sapiens (human)
regulation of norepinephrine uptake	Alpha-synuclein	Homo sapiens (human)
negative regulation of norepinephrine uptake	Alpha-synuclein	Homo sapiens (human)
excitatory postsynaptic potential	Alpha-synuclein	Homo sapiens (human)
long-term synaptic potentiation	Alpha-synuclein	Homo sapiens (human)
positive regulation of inositol phosphate biosynthetic process	Alpha-synuclein	Homo sapiens (human)
negative regulation of thrombin-activated receptor signaling pathway	Alpha-synuclein	Homo sapiens (human)
response to interleukin-1	Alpha-synuclein	Homo sapiens (human)
cellular response to copper ion	Alpha-synuclein	Homo sapiens (human)
cellular response to epinephrine stimulus	Alpha-synuclein	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Alpha-synuclein	Homo sapiens (human)
supramolecular fiber organization	Alpha-synuclein	Homo sapiens (human)
negative regulation of mitochondrial electron transport, NADH to ubiquinone	Alpha-synuclein	Homo sapiens (human)
positive regulation of glutathione peroxidase activity	Alpha-synuclein	Homo sapiens (human)
positive regulation of hydrogen peroxide catabolic process	Alpha-synuclein	Homo sapiens (human)
regulation of synaptic vesicle recycling	Alpha-synuclein	Homo sapiens (human)
regulation of reactive oxygen species biosynthetic process	Alpha-synuclein	Homo sapiens (human)
positive regulation of protein localization to cell periphery	Alpha-synuclein	Homo sapiens (human)
negative regulation of chaperone-mediated autophagy	Alpha-synuclein	Homo sapiens (human)
regulation of presynapse assembly	Alpha-synuclein	Homo sapiens (human)
amyloid fibril formation	Alpha-synuclein	Homo sapiens (human)
synapse organization	Alpha-synuclein	Homo sapiens (human)
chemical synaptic transmission	Alpha-synuclein	Homo sapiens (human)
negative regulation of protein phosphorylation	B1 bradykinin receptor	Homo sapiens (human)
positive regulation of leukocyte migration	B1 bradykinin receptor	Homo sapiens (human)
inflammatory response	B1 bradykinin receptor	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	B1 bradykinin receptor	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	B1 bradykinin receptor	Homo sapiens (human)
response to mechanical stimulus	B1 bradykinin receptor	Homo sapiens (human)
cell migration	B1 bradykinin receptor	Homo sapiens (human)
negative regulation of cell growth	B1 bradykinin receptor	Homo sapiens (human)
response to lipopolysaccharide	B1 bradykinin receptor	Homo sapiens (human)
negative regulation of blood pressure	B1 bradykinin receptor	Homo sapiens (human)
positive regulation of release of sequestered calcium ion into cytosol	B1 bradykinin receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway	B1 bradykinin receptor	Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
renal water homeostasis	Guanine nucleotide-binding protein G	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Guanine nucleotide-binding protein G	Homo sapiens (human)
regulation of insulin secretion	Guanine nucleotide-binding protein G	Homo sapiens (human)
cellular response to glucagon stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
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)
adaptive immune response	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
calcium-ion regulated exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
positive regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of synaptic vesicle cycle	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

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)
hormone activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
protein binding	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
phosphatidylinositol phospholipase C activity	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
protein binding	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled acetylcholine receptor activity	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
G protein-coupled serotonin receptor activity	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
fatty acid binding	Alpha-synuclein	Homo sapiens (human)
phospholipase D inhibitor activity	Alpha-synuclein	Homo sapiens (human)
SNARE binding	Alpha-synuclein	Homo sapiens (human)
magnesium ion binding	Alpha-synuclein	Homo sapiens (human)
transcription cis-regulatory region binding	Alpha-synuclein	Homo sapiens (human)
actin binding	Alpha-synuclein	Homo sapiens (human)
protein kinase inhibitor activity	Alpha-synuclein	Homo sapiens (human)
copper ion binding	Alpha-synuclein	Homo sapiens (human)
calcium ion binding	Alpha-synuclein	Homo sapiens (human)
protein binding	Alpha-synuclein	Homo sapiens (human)
phospholipid binding	Alpha-synuclein	Homo sapiens (human)
ferrous iron binding	Alpha-synuclein	Homo sapiens (human)
zinc ion binding	Alpha-synuclein	Homo sapiens (human)
lipid binding	Alpha-synuclein	Homo sapiens (human)
oxidoreductase activity	Alpha-synuclein	Homo sapiens (human)
kinesin binding	Alpha-synuclein	Homo sapiens (human)
Hsp70 protein binding	Alpha-synuclein	Homo sapiens (human)
histone binding	Alpha-synuclein	Homo sapiens (human)
identical protein binding	Alpha-synuclein	Homo sapiens (human)
alpha-tubulin binding	Alpha-synuclein	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	Alpha-synuclein	Homo sapiens (human)
tau protein binding	Alpha-synuclein	Homo sapiens (human)
phosphoprotein binding	Alpha-synuclein	Homo sapiens (human)
molecular adaptor activity	Alpha-synuclein	Homo sapiens (human)
dynein complex binding	Alpha-synuclein	Homo sapiens (human)
cuprous ion binding	Alpha-synuclein	Homo sapiens (human)
bradykinin receptor activity	B1 bradykinin receptor	Homo sapiens (human)
protein binding	B1 bradykinin receptor	Homo sapiens (human)
peptide binding	B1 bradykinin receptor	Homo sapiens (human)
G protein activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
adenylate cyclase activator activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
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)
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein-macromolecule adaptor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
small GTPase binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

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)
extracellular region	Glycoprotein hormones alpha chain	Homo sapiens (human)
extracellular space	Glycoprotein hormones alpha chain	Homo sapiens (human)
Golgi lumen	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone complex	Glycoprotein hormones alpha chain	Homo sapiens (human)
pituitary gonadotropin complex	Glycoprotein hormones alpha chain	Homo sapiens (human)
extracellular space	Glycoprotein hormones alpha chain	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
membrane	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
presynaptic membrane	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
axon terminus	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
postsynaptic density membrane	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
glutamatergic synapse	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
cholinergic synapse	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
synapse	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
dendrite	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M1	Homo sapiens (human)
plasma membrane	Glutamate receptor 2	Rattus norvegicus (Norway rat)
platelet alpha granule membrane	Alpha-synuclein	Homo sapiens (human)
extracellular region	Alpha-synuclein	Homo sapiens (human)
extracellular space	Alpha-synuclein	Homo sapiens (human)
nucleus	Alpha-synuclein	Homo sapiens (human)
cytoplasm	Alpha-synuclein	Homo sapiens (human)
mitochondrion	Alpha-synuclein	Homo sapiens (human)
lysosome	Alpha-synuclein	Homo sapiens (human)
cytosol	Alpha-synuclein	Homo sapiens (human)
plasma membrane	Alpha-synuclein	Homo sapiens (human)
cell cortex	Alpha-synuclein	Homo sapiens (human)
actin cytoskeleton	Alpha-synuclein	Homo sapiens (human)
membrane	Alpha-synuclein	Homo sapiens (human)
inclusion body	Alpha-synuclein	Homo sapiens (human)
axon	Alpha-synuclein	Homo sapiens (human)
growth cone	Alpha-synuclein	Homo sapiens (human)
synaptic vesicle membrane	Alpha-synuclein	Homo sapiens (human)
perinuclear region of cytoplasm	Alpha-synuclein	Homo sapiens (human)
postsynapse	Alpha-synuclein	Homo sapiens (human)
supramolecular fiber	Alpha-synuclein	Homo sapiens (human)
protein-containing complex	Alpha-synuclein	Homo sapiens (human)
cytoplasm	Alpha-synuclein	Homo sapiens (human)
axon terminus	Alpha-synuclein	Homo sapiens (human)
neuronal cell body	Alpha-synuclein	Homo sapiens (human)
endoplasmic reticulum	B1 bradykinin receptor	Homo sapiens (human)
plasma membrane	B1 bradykinin receptor	Homo sapiens (human)
plasma membrane	B1 bradykinin receptor	Homo sapiens (human)
plasma membrane	Guanine nucleotide-binding protein G	Homo sapiens (human)
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)
cytosol	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
hippocampal mossy fiber to CA3 synapse	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID504787	Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec	2006	Assay and drug development technologies, Jun, Volume: 4, Issue:3	Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
AID714456	Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]NMS dissociation rate after 22 hrs by liquid scintillation counting	2012	Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5	Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors.
AID714458	Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scintillation counting	2012	Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5	Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors.
AID714463	Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as inhibition of carbachol induced calcium response at 1 mM by fluorescence assay	2012	Journal of medicinal chemistry, Mar-08, Volume: 55, Issue:5	Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	18 (3.52)	18.7374
1990's	71 (13.87)	18.2507
2000's	180 (35.16)	29.6817
2010's	209 (40.82)	24.3611
2020's	34 (6.64)	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	3 (0.57%)	5.53%
Trials	0 (0.00%)	5.53%
Reviews	3 (0.57%)	6.00%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Observational	0 (0.00%)	0.25%
Other	521 (98.86%)	84.16%
Other	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.05	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
benzene [no description available]	2.41	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.21	1	0	halide anion; monoatomic bromine
cadaverine [no description available]	2.06	1	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	2.07	1	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
choline [no description available]	2.11	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
coumarin 2H-chromen-2-one: coumarin derivative	1.99	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.	2.06	1	0	alkane	xenobiotic
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	3.12	5	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	2.74	3	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	2	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine [no description available]	2.44	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.	2.41	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
histamine [no description available]	2.25	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
indole [no description available]	2.17	1	0	indole; polycyclic heteroarene	Escherichia coli metabolite
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.03	1	0	cyclitol; hexol
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	3.61	2	0	metal allergen; nickel group element atom	epitope; micronutrient
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.06	1	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.02	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.71	3	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
n,n-dimethylaniline N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.	2.02	1	0	dimethylaniline; tertiary amine
oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.	2.21	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
oxamic acid Oxamic Acid: Amino-substituted glyoxylic acid derivative.. oxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia.	2.1	1	0	dicarboxylic acid monoamide	Escherichia coli metabolite
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	2.74	3	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	2.03	1	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
porphobilinogen [no description available]	2.15	1	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	2.41	2	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
pteridines [no description available]	1.99	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
putrescine [no description available]	2.02	1	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.06	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
spermidine [no description available]	1.98	1	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.	2.02	1	0	sulfur oxoacid	catalyst
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.13	1	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
acetovanillone apocynin : An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3.	2.05	1	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
arecoline Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.. arecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.	2.03	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	2.06	1	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atrazine [no description available]	2.21	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	2.5	2	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
bupivacaine Bupivacaine: A widely used local anesthetic agent.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide : A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.. bupivacaine : A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.	2.31	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.03	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.06	1	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	1.96	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
dapi DAPI: RN given refers to parent cpd.	2.21	1	0	indoles	fluorochrome
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	2.07	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	2.15	1	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
embelin embelin: from Embelia fruit (Myrsinaceae). embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.	2.1	1	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	4.79	32	0
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.	3.42	7	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	2.07	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	2.07	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.02	1	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	2.04	1	0	phenanthridines	fluorochrome; intercalator
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.17	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	2.01	1	0	3-isobutyl-1-methylxanthine
kynurenic acid Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.	2	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
lomustine [no description available]	1.99	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	2.02	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
mechlorethamine nitrogen mustard : Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.	2	1	0	nitrogen mustard; organochlorine compound	alkylating agent
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	2.17	1	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methazolamide Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.	2.01	1	0	sulfonamide; thiadiazoles
monodansylcadaverine monodansylcadaverine: inhibits cross linkage of fibrin. monodansylcadaverine : A sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)naphthalene-1-sulfonic acid with one of the amino groups of cadaverine.	2.06	1	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
fenamic acid fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.	2.01	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
nisoldipine Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.. methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.	1.97	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
oxidopamine Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).	2.07	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	2.44	2	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
procarbazine Procarbazine: An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease.. procarbazine : A benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.	1.99	1	0	benzamides; hydrazines	antineoplastic agent
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	2.11	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
proxymetacaine proxymetacaine: RN given refers to parent cpd; structure	1.96	1	0	benzoate ester
propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.	2.42	2	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	2.25	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	2.03	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.41	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
triclosan [no description available]	2.17	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.	1.98	1	0	mitomycin	alkylating agent; antineoplastic agent
cephaloridine Cephaloridine: A cephalosporin antibiotic.. cefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.	2	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
thymidine [no description available]	1.98	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.42	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	2	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.	2	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.04	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	2.05	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	2.05	1	0	tetrachlorophenol	xenobiotic metabolite
uridine [no description available]	1.98	1	0	uridines	drug metabolite; fundamental metabolite; human metabolite
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.08	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	1.97	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
p-dimethylaminoazobenzene p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)	2	1	0	azobenzenes
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	2.54	2	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	2.45	2	0
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	2.1	1	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	1.98	1	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
alizarin [no description available]	2.02	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.25	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.03	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
tetramethylammonium tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.	3.08	1	0	quaternary ammonium ion
tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.	2.05	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	2.68	3	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.	2.47	2	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2	1	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.	1.99	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
rhodamine b rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.	3.4	7	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.	2.15	1	0	anthraquinone
propoxycaine Propoxycaine: A local anesthetic of the ester type that has a rapid onset of action and a longer duration of action than procaine hydrochloride. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1017)	1.96	1	0	benzoate ester
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	2.63	2	0	pyrrolidin-2-ones
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	2	1	0	naphthylamine	carcinogenic agent
diphenyl diphenyl: RN given refers to unlabeled cpd; structure	2.05	1	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	5.28	17	0	xanthene
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	2.05	1	0	butan-4-olide	metabolite; neurotoxin
ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.	1.99	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
4-aminoacetophenone [no description available]	2.21	1	0
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.97	4	0	alkane
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	2.02	1	0	pyrrole; secondary amine
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.07	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
diethylenetriamine diethylenetriamine: RN given refers to parent cpd	2.05	1	0	polyazaalkane; triamine
bromcresol purple Bromcresol Purple: An indicator and reagent. It has been used for several purposes including the determination of serum albumin concentrations. bromocresol purple : A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations.	2.31	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
2,4-dichlorophenol 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.	2.05	1	0	dichlorophenol
sulfan blue sulfan blue: widely used to visualize lymph vessels for lymphography; structure	2.05	1	0	organic molecular entity
pyrazolanthrone pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source. anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.	2.03	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	2.06	1	0	catechin	antioxidant; plant metabolite
perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.	2.31	1	0	ortho- and peri-fused polycyclic arene; perylenes
phthalazine phthalazine : An azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines.	2.43	2	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; phthalazines
acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.	2.73	3	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	2.11	1	0	indazole
adamantane Adamantane: A tricyclo bridged hydrocarbon.	2.47	2	0	adamantanes; polycyclic alkane
thiazoles [no description available]	4.41	21	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	2.05	1	0	diazine; pyrimidines	Daphnia magna metabolite
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.04	1	0	diazine; pyrazines	Daphnia magna metabolite
nitroblue tetrazolium Nitroblue Tetrazolium: Colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease.	1.98	1	0	organic cation
hydrazine diamine : Any polyamine that contains two amino groups.	2.72	3	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
evans blue Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.	2	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
oxamide oxamide: induces hydronephrosis in rat kidneys; structure. oxamide : A dicarboxylic acid diamide of oxalic acid.	2.1	1	0	dicarboxylic acid diamide
boldine [no description available]	2.1	1	0	aporphine alkaloid
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
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.	2.45	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	2	1	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
2,2,4-trimethylpentane 2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.	2.06	1	0	alkane; volatile organic compound	fuel additive; nephrotoxin; non-polar solvent
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	2.43	2	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	2.8	3	0	phenoxazine
neutral red Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0.	2.73	3	0	hydrochloride	acid-base indicator; dye; two-colour indicator
malachite green malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.	2.45	2	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
docusate Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.	2.06	1	0	diester; organosulfonic acid
dansyl chloride dansyl chloride: RN given refers to unlabeled cpd	1.97	1	0	aminonaphthalene; sulfonic acid derivative
2,4,6-tribromoanisole 2,4,6-tribromoanisole: produced by O-methylation of its direct precursor, 2,4,6-tribromophenol, generally comes from sources in the winery environment	2.02	1	0
c.i. 42510 Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.	3.52	8	0
hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol.	2.17	1	0	enoate ester	allergen; polymerisation monomer
amaranth dye Amaranth Dye: A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics. (From Merck Index, 11th ed)	2.7	3	0
2-aminobenzimidazole 2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd. 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group.	2.02	1	0	benzimidazoles	marine xenobiotic metabolite
deoxycytidine [no description available]	2.71	3	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).	2.05	1	0
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	1.96	1	0	alkali metal hydroxide
manganese dioxide [no description available]	2.01	1	0	manganese molecular entity; metal oxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	3.03	4	0	zinc molecular entity
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	2.1	1	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.	4.32	4	1	diarylmethane
digoxigenin Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.. digoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.	1.96	1	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol	hapten; plant metabolite
stearylamine stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine.	2.02	1	0	primary aliphatic amine	film-forming compound
orange g orange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary.	2.46	2	0
2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.	2.03	1	0	hydroquinones	food antioxidant
phenethyl isothiocyanate phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma. phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.	2.07	1	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	3.72	10	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
c.i. direct blue 1 [no description available]	2.02	1	0
ponceau 4r ponceau 4R: structure in first source	2.95	4	0
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	3.78	11	0	fluorescein isothiocyanate
Brilliant Blue brilliant blue: coal tar derivative food dye; used as the di-NH4 or di-Na salts; RN given refers to parent cpd	4.32	4	1	organic molecular entity
1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-2-anthracenesulfonic acid 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-2-anthracenesulfonic acid: structure in first source	2.05	1	0
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	2.1	1	0	chromium group element atom	micronutrient
neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications.	2.17	1	0	f-block element atom; lanthanoid atom
niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb.	2.05	1	0	vanadium group element atom
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	2.21	1	0	metal allergen; nickel group element atom; platinum group metal atom
ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.	2.11	1	0	iron group element atom; platinum group metal atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.07	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years.	2.25	1	0	manganese group element atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	4.64	8	0	titanium group element atom
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	2.53	2	0	cadmium molecular entity; zinc group element atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	2.78	3	0	copper group element atom; elemental gold
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	2.01	1	0	titanium group element atom
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.72	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
barium sulfate Barium Sulfate: A compound used as an x-ray contrast medium that occurs in nature as the mineral barite. It is also used in various manufacturing applications and mixed into heavy concrete to serve as a radiation shield.. barium sulfate : A metal sulfate with formula BaO4S. Virtually insoluble in water at room temperature, it is mostly used as a component in oil well drilling fluid it occurs naturally as the mineral barite.	2.03	1	0	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.	2.05	1	0	calcium phosphate
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	2.17	1	0	dihydrogen
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	2.11	1	0
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	2.47	2	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
4-chloro-7-nitrobenzofurazan 4-Chloro-7-nitrobenzofurazan: A benzofuran derivative used as a protein reagent since the terminal N-NBD-protein conjugate possesses interesting fluorescence and spectral properties. It has also been used as a covalent inhibitor of both beef heart mitochondrial ATPase and bacterial ATPase.. 4-chloro-7-nitrobenzofurazan : A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.	2.17	1	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	3.42	7	0	titanium oxides	food colouring
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	2.02	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
indium phosphide indium phosphide: molecular formula - InP	2.06	1	0
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.	2.06	1	0	benzenes; phenyl acetates
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	2.7	3	0
allura red ac dye Allura Red AC Dye: new monoazo dye proposed as color additive in various food products; RN given refers to di-Na salt; structure	2.7	3	0
azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.	2.5	2	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.48	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
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).	3.72	10	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide [no description available]	2.91	4	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
substance p [no description available]	1.97	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
ribavirin Rebetron: Rebetron is tradename	2.46	2	0	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
rhodamine wt [no description available]	2.11	1	0
lonidamine lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.	2.11	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.11	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
epirubicin Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.	2.42	2	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.41	2	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
metazachlor metazachlor: alpha-chloroacetamide herbicide. metazachlor : An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom.	2.21	1	0	aromatic amide; organochlorine compound; pyrazoles	environmental contaminant; herbicide; xenobiotic
mifepristone Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.	2.01	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	2.05	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.71	3	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
irinotecan [no description available]	2.05	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	2.11	1	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
sodium persulfate sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt	2.17	1	0
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	2.47	2	0	D-glucopyranose	epitope; mouse metabolite
2',7'-dichlorofluorescein 2',7'-dichlorofluorescein: RN given refers to parent cpd	2.07	1	0	2-benzofurans	fluorochrome
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	4.36	20	0	organic bromide salt	colorimetric reagent; dye
betulinic acid [no description available]	2.06	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	2.06	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
fluorexon fluorexon: structure	3.41	7	0	xanthene dye	fluorochrome
1,2-dipalmitoyl-3-phosphatidylethanolamine 1,2-dipalmitoyl-3-phosphatidylethanolamine: RN given refers to parent cpd without isomeric designation	2.7	3	0
1,2-dipalmitoylphosphatidylglycerol dipalmitoyl phosphatidylglycerol : A phosphatidylglycerol in which the phosphatidyl acyl groups are both palmitoyl.	2.05	1	0	phosphatidylglycerol
1,2-distearoyllecithin [no description available]	2	1	0
nile red nile red : An organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group.	2.79	3	0	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	2	1	0	cephalosporin	fungal metabolite
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.06	1	0	1,2,3-triazole
fluorodeoxyglucose f18 Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162)	2.52	2	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	2.04	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
zidovudine triphosphate [no description available]	2.03	1	0
betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.	2.46	2	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
2,2-di(4-methacryloxyphenyl)propane 2,2-di(4-methacryloxyphenyl)propane: used in polymers & copolymers of dental materials. bisphenol A dimethacrylate : A bisphenol that is bisphenol A condensed with two molecules of methacrylic acid.	2.45	2	0	bisphenol; enoate ester	metabolite
6-carboxyfluorescein 6-carboxyfluorescein: originally sold as 6-carboxyfluorescein, but commercial product is a mixture of two isomers; correct name is 5(6)-carboxyfluorescein	3.6	9	0	monocarboxylic acid
propylsulfonic acid propylsulfonic acid: RN given refers to cpd without locant for propyl moiety	2.08	1	0
n-hydroxysuccinimide N-hydroxysuccinimide: structure	2.03	1	0
biocytin biocytin : A monocarboxylic acid amide that results from the formal condensation of the carboxylic acid group of biotin with the N(6)-amino group of L-lysine.	2.04	1	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
va 061 VA 061: a water-soluble radical initiator; structure in first source	2	1	0
acid green 50 [no description available]	1.98	1	0
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	2.17	1	0	D-glucuronic acid	algal metabolite
6,7-dichloroquinoline-5,8-dione 6,7-dichloro-5,8-quinolinedione: structure in first source	2.02	1	0
p-methoxy-n-methylphenethylamine p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group.	2.7	3	0	aromatic ether; secondary amino compound	metabolite
diacetyldichlorofluorescein diacetyldichlorofluorescein: stable storage form of dichlorofluorescein	2.46	2	0
fluo-3 Fluo-3: fluorescent Ca(2+) indicator; permits continuous monitoring of Ca without interference with use of UV-sensitive caged compounds	2	1	0	xanthene dye	fluorochrome
laurdan laurdan: RN from CA Index Guide	2	1	0
artesunic acid [no description available]	2	1	0
indo-1 indo-1: structure given in first source	2	1	0	indoles	fluorochrome
altertoxin ii altertoxin II: structure given in first source; isolated from Alternaria species; do not confuse with toxin II from Anemonia sulcata which is abbreviated ATX II	2.07	1	0
asiaticoside [no description available]	2	1	0
deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.	2.11	1	0
aluminum phthalocyanine aluminum phthalocyanine: the aluminum phthalocyanine can be sulfonated to different degrees; see also record for aluminum tetrasulfophthalocyanine	2.05	1	0	organic molecular entity
gallium nitride [no description available]	2.06	1	0
sulforhodamine 101 [no description available]	2.06	1	0	organic heteroheptacyclic compound	fluorochrome
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	2.43	2	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
peroxyoxalate [no description available]	1.97	1	0
desloratadine desloratadine: major metabolite of loratadine. desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.	2.02	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
imidazolium-bis(imidazole)tetrachlororuthenate(iii) imidazolium-bis(imidazole)tetrachlororuthenate(III): structure given in first source	2.02	1	0
methotrexate [no description available]	2.11	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
dihydrotetramethylrosamine dihydrotetramethylrosamine: structure given in first source	1.99	1	0
7-amino-4-methylcoumarin-3-acetate [no description available]	1.97	1	0
7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine 7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine: inibits growth of B16 melanoma & MCF-7 mammary carcinoma cells	1.99	1	0
c 1311 C 1311: an imidazoacridinone; arrests cell-cycle progression in the G2 phase of L1210 cells; structure given in first source	2.03	1	0
aspartame [no description available]	2.15	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	3.13	5	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
perifosine [no description available]	2.03	1	0	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
1-thioglucose 1-thioglucose: RN given refers to (beta-D)-isomer	2.13	1	0
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.52	2	0	oxygen hydride; oxygen radical; reactive oxygen species
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	2.49	2	0
tartrazine Tartrazine: An anionic, hydrophilic azo dye with an orange-yellow color used in fabrics, foods and cosmetics, and as a biological stain.. tartrazine : An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring.	2.05	1	0
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.93	4	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
sorafenib [no description available]	2.06	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.13	1	0
2-oxindole 2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2.	2.13	1	0	gamma-lactam; indolinone
n,n-dimethyl-n-(18f)fluoromethyl-2-hydroxyethylammonium [no description available]	2.11	1	0
carboplatin [no description available]	2.04	1	0
bradykinin [no description available]	2.46	2	0	oligopeptide	human blood serum metabolite; vasodilator agent
glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.	2.04	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.45	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
pancratistatin pancratistatin: an isocarbostyril from Amaryllidaceae	2.03	1	0	citraconoyl group
ochratoxin a ochratoxin A: structure in first source & in Merck, 9th ed, #6549. ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.	7.25	1	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
malvidin-3-glucoside malvidin 3-O-beta-D-glucoside : An anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position.	2.13	1	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.47	2	0	cyclodextrin
ergosterol [no description available]	2.1	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	2.46	2	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.57	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
1,2-dilauroylphosphatidylcholine 1,2-dilauroylphosphatidylcholine: RN given refers to cpd without isomeric designation. 1,2-dilauroyl-sn-glycero-3-phosphocholine(1+) : A A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dilauroyl diester of phosphatidiylcholine.	2	1	0	1,2-diacyl-sn-glycero-3-phosphocholine(1+)
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	2.72	3	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
ferric hydroxide ferric hydroxide: additional RNs for iron hydroxide oxide: 11115-92-7, 20344-49-4; RN for unspecified iron hydroxide: 11113-66-9	2.41	1	0
alitretinoin Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA.	2.25	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
texas red Texas red: hydrophilic Texas red; structure given in first source	3.78	3	0	organic heteroheptacyclic compound	fluorochrome
enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.	1.97	1	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
alpha-asarone asarone: structure in Merck Index, 9th ed, #847. asarone : A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.. alpha-asarone : The trans-isomer of asarone.	2.06	1	0	asarone	anticonvulsant; GABA modulator
glycosides [no description available]	3.18	5	0
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	2.43	2	0	stilbene
sesquiterpenes [no description available]	2.73	3	0
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	2.06	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.49	2	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
indigo carmine Indigo Carmine: Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk.. indigo carmine : An organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.	2.05	1	0
tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.	2.05	1	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	1.96	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
tamoxifen [no description available]	2.01	1	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
nadp [no description available]	2.02	1	0
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	2.03	1	0
laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products.	3.04	4	0
3,7,11,15-tetramethyl-1,2,3-hexadecanetriol 3,7,11,15-tetramethyl-1,2,3-hexadecanetriol: structure in first source. phytantriol : A triol that consists of 3,7,11,15-tetramethylhexadecane bearing three hydroxy substituents at positions 1, 2 and 3.	2.04	1	0	triol
nitrogen dioxide Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface.	2.52	2	0	nitrogen oxide
quinine [no description available]	2.08	1	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
dipyrromethene dipyrromethene: structure in first source. dipyrrin : A dipyrrin that consists of pyrrole bearing a pyrrol-2-ylidenemethyl substituent at the 2-position.	2.15	1	0	dipyrrins
3-mercapto-1-propanesulfonate 3-mercapto-1-propanesulfonate: structure in first source	2.13	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	2.49	2	0
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	2.76	3	0	organic sodium salt	detergent; protein denaturant
mtt formazan MTT formazan: a blue MEM-insoluble mitochondrial byproduct; used to determine viability of cells with active mitochondrial dehydrogenase enzymes	2.46	2	0
rhodamine 123 Rhodamine 123: A fluorescent probe with low toxicity which is a potent substrate for ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 and the bacterial multidrug efflux transporter. It is used to assess mitochondrial bioenergetics in living cells and to measure the efflux activity of ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 in both normal and malignant cells. (Leukemia 1997;11(7):1124-30). rhodamine 123(1+) : A cationic fluorescent dye derived from 9-phenylxanthene.	2.07	1	0	organic cation; xanthene dye	fluorochrome
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	2.11	1	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	2.11	1	0	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
sterigmatocystin [no description available]	2.04	1	0	sterigmatocystins	metabolite
luteolin [no description available]	2.1	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	2.03	1	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.	1.98	1	0
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	2.03	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
nsc 106399 cucurbitacin E: RN refers to (9beta,10alpha,16alpha,23E)-isomer; structure given in first source. cucurbitacin E : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1, 5 and 23.	2.08	1	0	cucurbitacin; tertiary alpha-hydroxy ketone
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.03	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid [no description available]	2.1	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
1-palmitoyl-2-oleoylglycero-3-phosphoglycerol [no description available]	2.17	1	0	phosphatidylglycerol
1-monooleoyl-rac-glycerol Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid. 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl.. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified.	2.04	1	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine: structure in first source. 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine : A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively.	2.17	1	0	1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine	mouse metabolite
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	2.15	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.	2	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
oregon green 488 carboxylic acid [no description available]	2.02	1	0	xanthene dye	epitope; fluorochrome
magnesium trisilicate magnesium trisilicate: RN given refers to parent cpd	2.21	1	0
1,2-oleoylphosphatidylcholine 1,2-oleoylphosphatidylcholine: RN given refers to (Z,Z)-isomer. dioleoyl phosphatidylcholine : A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl.	2.57	2	0	phosphatidylcholine(1+)
cannabigerol cannabigerol: RN given refers to (E)-isomer; structure given in first source. cannabigerol : A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species.	2	1	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
licochalcone a licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer	2.1	1	0	chalcones
5,7-dihydroxy-4',6-dimethoxyflavone 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C.. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein.	2.04	1	0	dihydroxyflavone; dimethoxyflavone	plant metabolite
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	2.48	2	0	metal atom; pnictogen
indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum.	2.06	1	0	boron group element atom
gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.	2.06	1	0	boron group element atom
bedaquiline bedaquiline: a diarylquinoline Antitubercular Agent. bedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.	2.21	1	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).	2	1	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
arglabin arglabin: a sesquiterpene lactone from the Chinese herb Artemisia myriantha; structure given in first source. arglabin : An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers.	2.07	1	0	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials.	2.1	1	0	cyanine dye; organic iodide salt	fluorochrome
masticadienonic acid masticadienonic acid: from Pistacia terebinthus galls; structure in first source	2.02	1	0	triterpenoid
mastoparan [no description available]	2.02	1	0	mastoparans; peptidyl amide	antimicrobial agent
tetrodotoxin Tetrodotoxin: An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order TETRAODONTIFORMES, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction.. tetrodotoxin : A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.	2	1	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.	1.97	1	0
1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer	2.45	2	0
nitrocefin nitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source	2	1	0
1,2-dioleoyloxy-3-(trimethylammonium)propane 1,2-dioleoyloxy-3-(trimethylammonium)propane: fluorescent probe for phospholipids; RN & structure given in first source	2.17	1	0
i(3)so3-galactosylceramide Sulfoglycosphingolipids: GLYCOSPHINGOLIPIDS with a sulfate group esterified to one of the sugar groups.. 1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine : A D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and tetracosanoyl as the N-acyl group.	2	1	0	galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine
tanespimycin CP 127374: analog of herbimycin A	2.04	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
fm1 43 FM1 43: labels motor nerve terminals in an activity-dependent fashion that involves dye uptake by synaptic vesicles that are recycling; structure given in second source	2.01	1	0	organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine	fluorochrome
beta-escin [no description available]	2.44	2	0
ergostane ergostane: structure	2.1	1	0	steroid fundamental parent
bromopyruvate [no description available]	2.11	1	0	2-oxo monocarboxylic acid anion
staurosporine staurosporinium : Conjugate acid of staurosporine.	2.03	1	0	ammonium ion derivative
formazans Formazans: Colored azo compounds formed by the reduction of tetrazolium salts. Employing this reaction, oxidoreductase activity can be determined quantitatively in tissue sections by allowing the enzymes to act on their specific substrates in the presence of tetrazolium salts.	2.46	2	0
braco-19 BRACO-19: structure in first source	2.02	1	0	acridines; N-alkylpyrrolidine
pachastrissamine pachastrissamine: a cytotoxic anhydrophytosphingosine from a marine sponge, Pachastrissa sp. ; structure in first source	2.11	1	0
cabazitaxel cabazitaxel: an antineoplastic agent; structure in first source. cabazitaxel : A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly.	2.11	1	0	tetracyclic diterpenoid	antineoplastic agent; microtubule-stabilising agent
sorbitan monooleate [no description available]	2.11	1	0	fatty acid ester
rucaparib AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	2.05	1	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
tetramethylrhodamine tetramethylrhodamine: RN given refers to perchlorate; structure	1.99	1	0	xanthene dye
g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.	2.05	1	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	2.48	2	0
neoamphimedine neoamphimedine: a Pyrido[4,3,2-mn]acridine from Indo-Pacific sponge genus Xestospongia; structure in first source	2.1	1	0
artenimol artenimol: derivative of antimalarial drug artemisinin (quinghaosu)	2.1	1	0
acebutolol alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration.	2.08	1	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
murucoidin v murucoidin V: from morning glory; structure in first source	2.07	1	0
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	2.1	1	0
erythrosine Erythrosine: A tetraiodofluorescein used as a red coloring in some foods (cherries, fish), as a disclosure of DENTAL PLAQUE, and as a stain of some cell types. It has structural similarity to THYROXINE.. erythrosin B : An organic sodium salt that is the disodium salt of 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydroxanthen-9-yl)benzoic acid.	2.69	3	0
4,6-dibromo-2-(2',4'-dibromo)phenoxyanisole 4,6-dibromo-2-(2',4'-dibromo)phenoxyanisole: a brominated compound, detected in the blubber of dolphins and other marine mammals from Queensland (northeast Australia)	2.02	1	0
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.77	3	0
calcitonin [no description available]	2.08	1	0
melitten Melitten: Basic polypeptide from the venom of the honey bee (Apis mellifera). It contains 26 amino acids, has cytolytic properties, causes contracture of muscle, releases histamine, and disrupts surface tension, probably due to lysis of cell and mitochondrial membranes.	2.7	3	0
gala peptide GALA peptide: synthetic 30 amino acid peptide; its association with membrane vesicles has been studied; amino acid sequence given in first source	2.42	2	0
vitisin a [no description available]	2.13	1	0	benzofurans
echistatin echistatin: 49 amino acid residues given in first source; from the venom of the viper Echis	2.02	1	0
oligonucleotides [no description available]	2.46	2	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.82	2	0	glycoside
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	3.75	10	0	1,2-diacyl-sn-glycero-3-phosphocholine
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	2.02	1	0	chlorophyll; methyl ester	cofactor
hoe 33342 bisbenzimide ethoxide trihydrochloride: benzimidazole fluorescent dye	2.05	1	0
sphingosine kinase [no description available]	2.11	1	0
chitosan [no description available]	3.01	4	0
acid blue 40 Acid Blue 40: a textile dye; structure in first source	2.31	1	0
1,2-diarachidonoyl-glycero-3-phosphocholine 1,2-diarachidonoyl-glycero-3-phosphocholine: RN given refers to (all-Z)-isomer. 1,2-di-O-arachidonoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups at positions 1 and 2 are both arachidonoyl.	2	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
madecassoside [no description available]	2	1	0	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary
mk 2206 MK 2206: a protein kinase inhibitor and antineoplastic agent	2.15	1	0	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.17	1	0	BODIPY compound
glycolipids [no description available]	2.31	1	0
exenatide Exenatide: A synthetic form of exendin-4, a 39-amino acid peptide isolated from the venom of the Gila monster lizard (Heloderma suspectum). Exenatide increases CYCLIC AMP levels in pancreatic acinar cells and acts as a GLUCAGON-LIKE PEPTIDE-1 RECEPTOR (GLP-1) agonist and incretin mimetic, enhancing insulin secretion in response to increased glucose levels; it also suppresses inappropriate glucagon secretion and slows gastric emptying. It is used an anti-diabetic and anti-obesity agent.	2.08	1	0
calcipotriene calcipotriene: a topical dermatologic for the treatment of moderate plaque psoriasis; structure in first source. calcipotriol hydrate : A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients.	2.03	1	0	hydrate	antipsoriatic
heparitin sulfate Heparitin Sulfate: A heteropolysaccharide that is similar in structure to HEPARIN. It accumulates in individuals with MUCOPOLYSACCHARIDOSIS.	2.05	1	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	2.11	1	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	2.08	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	2.69	3	0	benzenes; hydroxycoumarin; methyl ketone
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	2.43	2	0
clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.	2.15	1	0
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	2.01	1	0
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.47	2	0
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.05	1	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	2.31	1	0
indolicidin [no description available]	2.06	1	0
42-hydroxypalytoxin 42-hydroxypalytoxin: isolated from a Palythoa species; structure in first source	2.1	1	0
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	2.11	1	0
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	2.01	1	0
dodecaborate dodecaborate: RN given for disodium salt; structure in first source	2.06	1	0
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	2.05	1	0
saponite [no description available]	2.15	1	0
silybin Silybin: The major active component of silymarin flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum; it is used in the treatment of HEPATITIS; LIVER CIRRHOSIS; and CHEMICAL AND DRUG INDUCED LIVER INJURY, and has antineoplastic activity; silybins A and B are diastereomers.	2.08	1	0
cytochalasin d Cytochalasin D: A fungal metabolite that blocks cytoplasmic cleavage by blocking formation of contractile microfilament structures resulting in multinucleated cell formation, reversible inhibition of cell movement, and the induction of cellular extrusion. Additional reported effects include the inhibition of actin polymerization, DNA synthesis, sperm motility, glucose transport, thyroid secretion, and growth hormone release.. cytochalasin D : An organic heterotricyclic compound that is a mycotoxin produced by Helminthosporium and other moulds which is cell permeable and a potent inhibitor of actin polymerisation and DNA synthesis.	2.01	1	0
masticadienolic acid masticadienolic acid: an antifungal agent from Pistacia terebinthus galls; structure in first source	2.02	1	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	2.21	1	0
amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined	2.07	1	0
guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose.	1.99	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	2.42	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S,11S),4beta,21beta))-isomer	2.02	1	0
amido black Amido Black: A dye used to stain proteins in electrophoretic techniques. It is used interchangeably with its acid form.. Amido Black 10B (acid form) : A bis(azo) compound that is naphthalene-2,7-disulfonic acid in which the hydrogens at positions 3, 4, 5, and 6 are replaced by (p-nitrophenyl)azo, amino, hydroxy, and phenylazo groups, respectively. A biological stain, it can be used interchangeably with its disodium salt, Amido Black 10B.	2.02	1	0
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.97	4	0
2-naphthol orange 2-naphthol orange: structure; see also record for C.I. Solvent Orange 2	2.95	4	0
remazol black b Remazol black B: RN given refers to the tetrasodium salt. remazole black-GR : A bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene.	2.03	1	0
aluminum phthalocyanine disulfonate [no description available]	2	1	0
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid [no description available]	2.03	1	0	biotins
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.03	1	0	1-benzofurans; aromatic ketone	uricosuric drug
gallamine triethiodide [no description available]	2.07	1	0	aromatic ether
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.07	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
9,10-phenanthrenequinone 9,10-phenanthrenequinone: structure	2.03	1	0	phenanthrenes
benzo(b)fluoranthene benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring.	2.03	1	0	ortho- and peri-fused polycyclic arene	mutagen
malononitrile dimer Malononitrile dimer: has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine	2.03	1	0
toxoflavin toxoflavin: azapteridine antibiotic; structure. toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.	2.03	1	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
n-methylscopolamine N-Methylscopolamine: A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors.	2.07	1	0
methyl fluorone black methyl fluorone black: structure	2.03	1	0
6-hydroxydopa 6-hydroxydopa: RN given refers to cpd without isomeric designation	2.03	1	0	non-proteinogenic alpha-amino acid
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.03	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	2.07	1	0
brucine brucine: was heading 1991-94 (see under STRYCHNINE 1975-90); DIMETHOXYSTRYCHNINE was see BRUCINE 1975-94; use STRYCHNINE to search BRUCINE 1975-94; very toxic alkaloid from Nux vomica similar to strychnine; used as reagent in analytical chemistry; was MH 1991-94	2.07	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound
desthiobiotin desthiobiotin: RN given refers to cpd without isomeric designation; structure. (4R,5S)-dethiobiotin : The (4R,5S)-isomer of dethiobiotin.	2.03	1	0	dethiobiotin
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	0	pyrimidotriazine
5-bromo-3-ethyl-1H-indole-2-carboxylic acid [no description available]	2.03	1	0	indolyl carboxylic acid
2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone [no description available]	2.03	1	0	benzofurans
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one [no description available]	2.03	1	0	quinazolines
2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile [no description available]	2.03	1	0	phenylpyridine
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	0	pyrimidotriazine
1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone [no description available]	2.03	1	0	quinoxaline derivative
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide [no description available]	2.03	1	0	methoxybenzenes
2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione [no description available]	2.03	1	0	quinolines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine [no description available]	2.03	1	0	phenylpyridine
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	0	benzofurans
2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester [no description available]	2.03	1	0	alpha-amino acid ester
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide [no description available]	2.03	1	0	benzimidazoles
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide [no description available]	2.03	1	0	benzofurans
2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide [no description available]	2.03	1	0	toluenes
1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone [no description available]	2.03	1	0	quinoxaline derivative
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide [no description available]	2.03	1	0	quinolines
3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione [no description available]	2.03	1	0	triazoles
2-(2-quinoxalinylthio)propanoic acid [no description available]	2.03	1	0	quinoxaline derivative
ellagic acid [no description available]	2.03	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one [no description available]	2.03	1	0	hydroxycoumarin
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	0	benzofurans
6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid [no description available]	2.03	1	0	phenylpyridine
win 51708 WIN 51708: neurokinin-1 receptor antagonist	2.07	1	0
methacycline monohydrochloride [no description available]	2.03	1	0
norclozapine norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.	2.07	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist

Condition	Relationship Strength	Studies	Trials
Malignant Melanoma [description not available]	3.12	5	0
Cancer of Skin [description not available]	2.47	2	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	3.12	5	0
Skin Neoplasms Tumors or cancer of the SKIN.	2.47	2	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	4.39	20	0
E coli Infections [description not available]	2.25	1	0
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	2.25	1	0
Acute Respiratory Distress Syndrome [description not available]	2.57	2	0
Respiratory Distress Syndrome A syndrome characterized by progressive life-threatening RESPIRATORY INSUFFICIENCY in the absence of known LUNG DISEASES, usually following a systemic insult such as surgery or major TRAUMA.	2.57	2	0
Benign Neoplasms [description not available]	4.13	15	0
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.	4.13	15	0
Encephalopathy, Toxic [description not available]	2.31	1	0
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	2.78	3	0
Colorectal Cancer [description not available]	2.97	4	0
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	2.97	4	0
Caries, Dental [description not available]	5.97	14	2
Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.	5.97	14	2
Cholangiocellular Carcinoma [description not available]	2.17	1	0
Bile Duct Cancer [description not available]	2.17	1	0
Invasiveness, Neoplasm [description not available]	2.73	3	0
Bile Duct Neoplasms Tumors or cancer of the BILE DUCTS.	2.17	1	0
Cholangiocarcinoma A malignant tumor arising from the epithelium of the BILE DUCTS.	2.17	1	0
Cancer of Lung [description not available]	3.82	11	0
Lung Neoplasms Tumors or cancer of the LUNG.	3.82	11	0
Cardiac Hypertrophy Enlargement of the HEART due to chamber HYPERTROPHY, an increase in wall thickness without an increase in the number of cells (MYOCYTES, CARDIAC). It is the result of increase in myocyte size, mitochondrial and myofibrillar mass, as well as changes in extracellular matrix.	2.53	2	0
Cardiomegaly Enlargement of the HEART, usually indicated by a cardiothoracic ratio above 0.50. Heart enlargement may involve the right, the left, or both HEART VENTRICLES or HEART ATRIA. Cardiomegaly is a nonspecific symptom seen in patients with chronic systolic heart failure (HEART FAILURE) or several forms of CARDIOMYOPATHIES.	2.53	2	0
Breast Cancer [description not available]	4.42	21	0
Hepatocellular Carcinoma [description not available]	2.42	2	0
Cancer of Liver [description not available]	2.7	3	0
Breast Neoplasms Tumors or cancer of the human BREAST.	4.42	21	0
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	2.42	2	0
Liver Neoplasms Tumors or cancer of the LIVER.	2.7	3	0
Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	2.47	2	0
Bladder Cancer [description not available]	2.95	4	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	2.95	4	0
Carcinoma, Non-Small Cell Lung [description not available]	2.46	2	0
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	2.46	2	0
Adenocarcinoma, Basal Cell [description not available]	3.11	5	0
Cancer of Stomach [description not available]	2.96	4	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	3.11	5	0
Stomach Neoplasms Tumors or cancer of the STOMACH.	2.96	4	0
Carcinoma, Squamous Cell of Head and Neck [description not available]	2.1	1	0
Carcinoma, Epidermoid [description not available]	3.26	6	0
Cancer of Head [description not available]	3.11	5	0
Squamous Cell Carcinoma of Head and Neck The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer.	2.1	1	0
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	3.26	6	0
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	3.11	5	0
Extravascular Hemolysis [description not available]	2.1	1	0
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	2.1	1	0
Catarrh Inflammation of a mucous membrane with increased flow of mucous in humans or animals. Catarrh is used mostly in a historical context.	2.1	1	0
Common Cold A catarrhal disorder of the upper respiratory tract, which may be viral or a mixed infection. It generally involves a runny nose, nasal congestion, and sneezing.	2.1	1	0
Eye Cancer, Retinoblastoma [description not available]	2.1	1	0
Retinoblastoma A malignant tumor arising from the nuclear layer of the retina that is the most common primary tumor of the eye in children. The tumor tends to occur in early childhood or infancy and may be present at birth. The majority are sporadic, but the condition may be transmitted as an autosomal dominant trait. Histologic features include dense cellularity, small round polygonal cells, and areas of calcification and necrosis. An abnormal pupil reflex (leukokoria); NYSTAGMUS, PATHOLOGIC; STRABISMUS; and visual loss represent common clinical characteristics of this condition. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2104)	2.1	1	0
Cancer of Prostate [description not available]	3.98	13	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	3.98	13	0
Chronic Lung Injury [description not available]	2.11	1	0
Edema, Pulmonary [description not available]	2.11	1	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	2.11	1	0
Cancer of Colon [description not available]	3.51	8	0
Colonic Neoplasms Tumors or cancer of the COLON.	3.51	8	0
Benign Neoplasms, Brain [description not available]	2.47	2	0
Astrocytoma, Grade IV [description not available]	2.46	2	0
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	2.47	2	0
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	2.46	2	0
Carcinoma, Anaplastic [description not available]	2.45	2	0
Hormone-Dependent Neoplasms [description not available]	2.04	1	0
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	2.45	2	0
Cancer of Ovary [description not available]	3.8	11	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	3.8	11	0
Dentin, Secondary Dentin formed by normal pulp after completion of root end formation.	2.05	1	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.41	2	0
Branch Vein Occlusion [description not available]	2.05	1	0
Branch Retinal Artery Occlusion [description not available]	2.05	1	0
Retinal Vein Occlusion Blockage of the RETINAL VEIN. Those at high risk for this condition include patients with HYPERTENSION; DIABETES MELLITUS; ATHEROSCLEROSIS; and other CARDIOVASCULAR DISEASES.	2.05	1	0
Retinal Artery Occlusion Sudden ISCHEMIA in the RETINA due to blocked blood flow through the CENTRAL RETINAL ARTERY or its branches leading to sudden complete or partial loss of vision, respectively, in the eye.	2.05	1	0
Alloxan Diabetes [description not available]	2.05	1	0
Diabetes Mellitus, Adult-Onset [description not available]	2.05	1	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	2.05	1	0
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	2.05	1	0
Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION.	2.05	1	0
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	2.05	1	0
Hypermelanosis [description not available]	2.05	1	0
Hyperpigmentation Excessive pigmentation of the skin, usually as a result of increased epidermal or dermal melanin pigmentation, hypermelanosis. Hyperpigmentation can be localized or generalized. The condition may arise from exposure to light, chemicals or other substances, or from a primary metabolic imbalance.	2.05	1	0
Tooth Discoloration Any change in the hue, color, or translucency of a tooth due to any cause. Restorative filling materials, drugs (both topical and systemic), pulpal necrosis, or hemorrhage may be responsible. (Jablonski, Dictionary of Dentistry, 1992, p253)	2.05	1	0
Chondrosarcoma A slowly growing malignant neoplasm derived from cartilage cells, occurring most frequently in pelvic bones or near the ends of long bones, in middle-aged and old people. Most chondrosarcomas arise de novo, but some may develop in a preexisting benign cartilaginous lesion or in patients with ENCHONDROMATOSIS. (Stedman, 25th ed)	2.06	1	0
Disease Exacerbation [description not available]	2.96	4	0
Dementias, Transmissible [description not available]	2.06	1	0
Glial Cell Tumors [description not available]	2.7	3	0
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	2.7	3	0
Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration.	2.71	3	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	2.43	2	0
Weight Reduction [description not available]	2.06	1	0
Weight Loss Decrease in existing BODY WEIGHT.	2.06	1	0
Acute Confusional Senile Dementia [description not available]	2.48	2	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	2.48	2	0
Degenerative Diseases, Central Nervous System [description not available]	2.07	1	0
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	2.07	1	0
Amyloid Deposits [description not available]	2.08	1	0
Cancer of Pancreas [description not available]	2.42	2	0
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	2.42	2	0
Intestinal Diseases, Parasitic Infections of the INTESTINES with PARASITES, commonly involving PARASITIC WORMS. Infections with roundworms (NEMATODE INFECTIONS) and tapeworms (CESTODE INFECTIONS) are also known as HELMINTHIASIS.	2.01	1	0
Intestinal Diseases Pathological processes in any segment of the INTESTINE from DUODENUM to RECTUM.	2.01	1	0
Metastase [description not available]	2.94	4	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	2.94	4	0
Uveal Neoplasms Tumors or cancer of the UVEA.	2.01	1	0
Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.	2.4	2	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.4	2	0
Bone Cancer [description not available]	2.02	1	0
Lymph Node Metastasis [description not available]	2.02	1	0
Angiogenesis, Pathologic [description not available]	2.02	1	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	2.02	1	0
Leucocythaemia [description not available]	2.91	4	0
Central Nervous System Neoplasm [description not available]	2.02	1	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	2.91	4	0
Central Nervous System Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.	2.02	1	0
B16 Melanoma [description not available]	2.02	1	0
African Lymphoma [description not available]	2.03	1	0
Burkitt Lymphoma A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative.	2.03	1	0
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	2.03	1	0
Carcinoma, Lewis Lung A carcinoma discovered by Dr. Margaret R. Lewis of the Wistar Institute in 1951. This tumor originated spontaneously as a carcinoma of the lung of a C57BL mouse. The tumor does not appear to be grossly hemorrhagic and the majority of the tumor tissue is a semifirm homogeneous mass. (From Cancer Chemother Rep 2 1972 Nov;(3)1:325) It is also called 3LL and LLC and is used as a transplantable malignancy.	2.03	1	0
Ewing Sarcoma [description not available]	2.03	1	0
Sarcoma, Ewing A malignant tumor of the bone which always arises in the medullary tissue, occurring more often in cylindrical bones. The tumor occurs usually before the age of 20, about twice as frequently in males as in females.	2.03	1	0
Herpes Simplex Keratitis [description not available]	1.98	1	0
Keratitis, Herpetic A superficial, epithelial Herpesvirus hominis infection of the cornea, characterized by the presence of small vesicles which may break down and coalesce to form dendritic ulcers (KERATITIS, DENDRITIC). (Dictionary of Visual Science, 3d ed)	1.98	1	0
Brain Swelling [description not available]	1.98	1	0
African Sleeping Sickness [description not available]	1.98	1	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	1.98	1	0
Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.	1.98	1	0
Extravasation of Contrast Media [description not available]	1.98	1	0
Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES.	1.99	1	0
Demineralization, Tooth [description not available]	1.99	1	0
Cancer of the Ureter [description not available]	2	1	0
Ureteral Neoplasms Cancer or tumors of the URETER which may cause obstruction leading to hydroureter, HYDRONEPHROSIS, and PYELONEPHRITIS. HEMATURIA is a common symptom.	2	1	0
Acid beta-Glucosidase Deficiency [description not available]	2	1	0
Gaucher Disease An autosomal recessive disorder caused by a deficiency of acid beta-glucosidase (GLUCOSYLCERAMIDASE) leading to intralysosomal accumulation of glycosylceramide mainly in cells of the MONONUCLEAR PHAGOCYTE SYSTEM. The characteristic Gaucher cells, glycosphingolipid-filled HISTIOCYTES, displace normal cells in BONE MARROW and visceral organs causing skeletal deterioration, hepatosplenomegaly, and organ dysfunction. There are several subtypes based on the presence and severity of neurological involvement.	2	1	0
Conjunctival Diseases Diseases involving the CONJUNCTIVA.	2	1	0
Corneal Diseases Diseases of the cornea.	2	1	0
Vitiligo A disorder consisting of areas of macular depigmentation, commonly on extensor aspects of extremities, on the face or neck, and in skin folds. Age of onset is often in young adulthood and the condition tends to progress gradually with lesions enlarging and extending until a quiescent state is reached.	2	1	0
Cancer of ILEUM [description not available]	2	1	0
Cancer of Cecum [description not available]	2	1	0
Palmoplantaris Pustulosis [description not available]	2	1	0
Psoriasis A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.	2	1	0
Adenoma, Prostatic [description not available]	2.01	1	0
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	2.01	1	0
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	2.01	1	0
Carcinoma, Oat Cell [description not available]	1.98	1	0
Carcinoma, Small Cell An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7)	1.98	1	0
Hypopharyngeal Cancer [description not available]	1.98	1	0
Hypopharyngeal Neoplasms Tumors or cancer of the HYPOPHARYNX.	1.98	1	0
Anoxemia [description not available]	1.97	1	0
Suffocation [description not available]	1.97	1	0
Acute Disease Disease having a short and relatively severe course.	1.97	1	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	1.97	1	0
Asphyxia A pathological condition caused by lack of oxygen, manifested in impending or actual cessation of life.	1.97	1	0
Innate Inflammatory Response [description not available]	2.05	1	0
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	0

lissamine rhodamine b

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