allicin profile

Allicin is a sulfur-containing compound produced from alliin, a non-volatile amino acid found in garlic, when garlic is crushed or chopped. This reaction is catalyzed by the enzyme alliinase. Allicin is known for its strong garlic odor and pungent taste. It is unstable and decomposes quickly, which makes it difficult to study and isolate.
Allicin has been shown to possess a wide range of biological activities, including antimicrobial, antioxidant, anti-inflammatory, and anticancer effects. These effects are attributed to its ability to interact with various biological targets, such as enzymes, proteins, and DNA.
Allicin's antimicrobial properties have been studied extensively, demonstrating its effectiveness against bacteria, fungi, and viruses. It inhibits the growth of bacteria by interfering with their metabolic processes, while its antiviral activity is thought to be due to its ability to block viral attachment and entry into cells.
Allicin's antioxidant properties are attributed to its ability to scavenge free radicals, which are unstable molecules that can damage cells and contribute to disease development. It has been shown to protect cells from oxidative stress, which is linked to a number of chronic diseases, including heart disease, cancer, and neurodegenerative disorders.
The anti-inflammatory effects of allicin are thought to be mediated through its ability to inhibit the production of inflammatory mediators, such as prostaglandins and leukotrienes. Studies have shown that allicin can reduce inflammation in various tissues, including the skin, gut, and joints.
Allicin's potential anticancer properties have also been the subject of extensive research. Studies have shown that allicin can induce apoptosis (programmed cell death) in cancer cells and inhibit their growth and spread. It has been investigated for its potential therapeutic use in treating various cancers, including colon, breast, and lung cancer.
Allicin is an important compound studied due to its diverse biological activities and potential therapeutic applications. The ongoing research focuses on understanding its mechanisms of action, optimizing its stability, and developing new and effective ways to deliver and utilize its therapeutic properties.
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Flora	Rank	Flora Definition	Family	Family Definition
Allium	genus	A genus of the plant family Amaryllidaceae. Many produce pungent, often bacteriostatic and physiologically active compounds and are used as VEGETABLES; CONDIMENTS; and medicament, the latter in traditional medicine.[MeSH]	Amaryllidaceae	A family of herbaceous plants with bulbs or rhizomes in the order Asparagales.[MeSH]
Allium sativum	species	[no description available]	Amaryllidaceae	A family of herbaceous plants with bulbs or rhizomes in the order Asparagales.[MeSH]

ID Source	ID
PubMed CID	65036
CHEMBL ID	359965
CHEBI ID	28411
SCHEMBL ID	2920
MeSH ID	M0049038

Synonym
3-allylsulfinylsulfanyl-prop-1-ene
gtpl2419
nsc-707388
nsc707388
3-allylsulfinylsulfanylprop-1-ene
diallyl thiosulfinate
thio-2-propene-1-sulfinic acid s-allyl ester
dadso
allitridi
brn 1752823
s-allyl acrylo-1-sulphinothioate
2-propene-1-sulfinothioic acid, s-2-propenyl ester
allylthiosulphinic acid allyl ester
einecs 208-727-7
c6h10os2
diallyldisulfid-s-oxid
ccris 9053
2-propene-1-sulfinic acid, thio-, s-allyl ester
diallyl disulfide-oxide
allylthiosulfinate
allimin
2-propene-1-sulfinothioic acid s-2-propenyl ester
ALLICIN ,
539-86-6
C07600
CHEBI:28411 ,
s-allyl prop-2-ene-1-sulfinothioate
s-prop-2-en-1-yl prop-2-ene-1-sulfinothioate
bdbm50240948
3-prop-2-enylsulfinylsulfanylprop-1-ene
CHEMBL359965 ,
AKOS006282482
unii-3c39by17y6
3c39by17y6 ,
4-04-00-00007 (beilstein handbook reference)
s-allyl 2-propene-1-sulfinothioate
A829889
3-(prop-2-enylsulfinylthio)-1-propene
S3860
FT-0621982
allicin (constituent of garlic) [dsc]
allicin [mi]
allicin [who-dd]
s-2-propen-1-yl 2-propene-1-sulfinothioate
JDLKFOPOAOFWQN-UHFFFAOYSA-N
SCHEMBL2920
DTXSID6043707 ,
Q-200609
AC-34150
FD10435
3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene
allicin(tech grade)
s-2-propenyl 2-propene-1-sulfinothioate, 9ci
2-propene-1-sulfinothioic acid, s-2-propenyl ester (9ci)
DB11780
allicin (allyl-s(o)s-allyl)
BCP08391
mfcd00468100
allicin, tech. grade
Q409641
CS-0008813
CCG-266298
allicin (not validated)
diallyl thiosulfinate and allylthiosulphinic acid allyl ester
HY-N0315
dianyctrsnlgide;allisatin
diallyldisulfid-s-oxide
allicin kit
XA162045
XA176305
EN300-217463
allicin (constituent of garlic)
dtxcid4023707
diallyldisulfid-s-oxid, 3-prop-2-enylsulfinylsulfanylprop-1-ene

Excerpt	Reference	Relevance
"Allicin is an allyl 2-propenethiosulfinate or diallyl thiosulfinate acid with cardioprotective effects in myocardial ischemia/reperfusion (MI/R) injury. "	( Allicin protects against myocardial I/R by accelerating angiogenesis via the miR-19a-3p/PI3K/AKT axis. Deng, X; Fu, D; Gao, T; Jiang, H; Li, X; Liao, J; Liu, M; Shao, M; Yang, P, 2021)	3.51
"Allicin is a natural antimicrobial agent with abundant pharmacological activities, and recent studies have reported its therapeutic effects in diabetes; however, the mechanism of these therapeutic effects is still unclear."	( Allicin Alleviates Diabetes Mellitus by Inhibiting the Formation of Advanced Glycation End Products. Li, L; Song, Q; Wang, X; Yan, Y; Zhang, X, 2022)	2.89
"Allicin is a major thiosulfinate found in garlic and other Allium sp. "	( Novel simultaneous determination of alliin and allicin in Allium sp. using digital subtraction HPTLC. Bosca, B; Mot, AC, 2023)	2.61
"Allicin is a bioactive compound with potent antioxidative activity and plays a protective effect in myocardial damage and fibrosis. "	( Allicin protects against LPS-induced cardiomyocyte injury by activating Nrf2-HO-1 and inhibiting NLRP3 pathways. Duan, G; Lei, M; Sun, F; Xu, K; Zhang, W; Zhou, J, 2023)	3.8
"Allicin is a reactive sulfur species (RSS) that oxidizes accessible cysteines in glutathione and proteins."	( Allicin, a natural antimicrobial defence substance from garlic, inhibits DNA gyrase activity in bacteria. Albrecht, F; Hübbers, AM; Leichert, LIO; Reiter, J; Slusarenko, AJ, 2020)	2.72
"Allicin is a redox toxin that oxidizes glutathione and cellular proteins and makes garlic a highly hostile environment for non-adapted microbes."	( Genetic and molecular characterization of multicomponent resistance of Bolger, A; Borlinghaus, J; Gruhlke, MC; Schier, C; Slusarenko, AJ; Usadel, B; Vogel, A, 2020)	1.28
"Allicin is a versatile sulfur-containing organic compound extracted from garlic (Allium sativum L.), which has many pharmacological effects."	( Allicin enhances the radiosensitivity of colorectal cancer cells via inhibition of NF-κB signaling pathway. Huang, WL; Jin, S; Ma, YC; Wang, R; Wu, SF; Xu, ST; Zhou, S, 2020)	2.72
"Allicin is a component of the characteristic smell and flavor of garlic ("	( Structure and function of a flavin-dependent S-monooxygenase from garlic ( Campbell, AC; LeBlanc, S; Nam, HG; Schuermann, JP; Sobrado, P; Sultana, N; Tanner, JJ; Valentino, H, 2020)	2
"Allicin is a natural product suppressing the progression of gastric carcinoma (GC). "	( Allicin suppresses growth and metastasis of gastric carcinoma: the key role of microRNA-383-5p-mediated inhibition of ERBB4 signaling. Li, J; Lv, Q; Wang, Z; Xia, Q, 2020)	3.44
"Allicin is a classical ingredient extracted from garlic and has many functions such as anti-apoptosis and antibacterial effects."	( Allicin inhibits osteoblast apoptosis and steroid-induced necrosis of femoral head progression by activating the PI3K/AKT pathway. Huang, Y; Lin, J; Lin, Z; Pan, X; Qi, W; Xue, X; Yan, Z; Zhan, J; Zhao, M, 2020)	2.72
"Allicin is a compound isolated from garlic having the ability to prevent and cure different diseases, and a protective effect on the myocardium was also demonstrated."	( Allicin attenuates myocardial apoptosis, inflammation and mitochondrial injury during hypoxia-reoxygenation: an in vitro study. Deng, X; Gao, T; Li, X; Liu, M; Yang, P, 2021)	2.79
"Allicin is a thiol-reactive sulfur-containing natural product from garlic with a broad range of antimicrobial effects against prokaryotes and eukaryotes. "	( Yap1p, the central regulator of the S. cerevisiae oxidative stress response, is activated by allicin, a natural oxidant and defence substance of garlic. Delaunay, A; Gollwitzer, PUG; Gruhlke, MCH; Leontiev, R; Schlembach, I; Slusarenko, AJ; Toledano, M; Uebachs, A; Weiss, A, 2017)	2.12
"Allicin is a reactive sulfur species (RSS) and defence substance from garlic ("	( An Optimized Facile Procedure to Synthesize and Purify Allicin. Albrecht, F; Jacob, C; Leontiev, R; Slusarenko, AJ, 2017)	2.15
"Allicin is an extract purified from Allium sativum (garlic), and previous research has indicated that Allicin has an inhibitory effect on many kinds of tumor cells. "	( Allicin induces apoptosis through activation of both intrinsic and extrinsic pathways in glioma cells. Jing, H; Li, C; Liang, P; Ma, G, 2018)	3.37
"Allicin is an oxygenated carotenoid derivative that exhibits strong antioxidant activity, which effectively removes reactive oxygen species from the body and has important roles in disease prevention and treatment. "	( Allicin attenuates lipopolysaccharide‑induced acute lung injury in neonatal rats via the PI3K/Akt pathway. Chen, C; Guo, Y; Kan, C; Meng, X; Wang, X; Zhang, C, 2018)	3.37
"The allicin in garlic is a strong activator of the TRPA1 channel."	( Gastric administration of garlic powder containing the trpa1- agonist allicin induces specific epigastric symptoms and gastric relaxation in healthy subjects. Dejaco, C; Führer, M; Hammer, J; Kopp, B, 2019)	1.23
"Allicin is a potential antiarrhythmic agent. "	( Allicin disrupts cardiac Cav1.2 channels via trafficking. Han, D; Liu, P; Liu, Y; Sun, C; Xu, L; Yin, Y, 2019)	3.4
"Allicin is an active ingredient of garlic that has antibacterial, antifungal, antiviral, and antiprotozoal activity. "	( Inhibitory effect of allicin on the growth of Babesia and Theileria equi parasites. AbouLaila, M; Allaam, M; El-Sify, A; Igarashi, I; Mousa, A; Salama, AA; Terkawi, MA; Yokoyama, N; Zaghawa, A, 2014)	2.16
"allicin). There is a lot of variation among garlic products sold for medicinal purposes."	( Allium sativum: facts and myths regarding human health. Majewski, M, 2014)	1.12
"Allicin appears to be a potential adjunctive therapeutic drug."	( Allicin as a possible adjunctive therapeutic drug for stage II oral submucous fibrosis: a preliminary clinical trial in a Chinese cohort. Chen, Y; Jiang, X; Li, F; Sun, G; Yang, S; Zhang, Y; Zhu, Y, 2015)	2.58
"Allicin is an organosulfur compound produced as a result of the reaction between alliin and alliinase after hacking of garlic."	( In vitro efficacy of allicin on chicken Eimeria tenella sporozoites. Alnassan, AA; Bangoura, B; Daugschies, A; Thabet, A, 2015)	1.46
"Allicin is a natural effective organosulfur compound isolated from garlic, which possesses many beneficial properties, such as antibacterial, anti-inflammatory, antimicrobial, hypotensive and hypolipidemic. "	( Allicin relaxes isolated mesenteric arteries through activation of PKA-K Chen, S; Li, J; Li, S; Liao, L; Yang, W; Zheng, Y; Zhu, D, 2017)	3.34
"Allicin is a major component of garlic, extracted as an oily liquid. "	( Allicin protects traumatic spinal cord injury through regulating the HSP70/Akt/iNOS pathway in mice. Ren, D; Wang, S, 2016)	3.32
"Allicin is an active compound derived from garlic that has been shown to have antitumor properties in vitro. "	( Allicin induces apoptosis in gastric cancer cells through activation of both extrinsic and intrinsic pathways. Dong, N; Gong, Y; Ha, M; Xu, Y; Yuan, Y; Zhang, W, 2010)	3.25
"Allicin is a highly unstable molecule and, during processing, is rapidly transformed into a variety of organosulfur components."	( Nutraceutical use of garlic sulfur-containing compounds. Ghanotakis, DF; Touloupakis, E, 2010)	1.08
"Allicin is a major component of crushed garlic."	( Allicin induces p53-mediated autophagy in Hep G2 human liver cancer cells. Chu, YL; Chung, JG; Ho, CT; Rajasekaran, R; Sheen, LY, 2012)	2.54
"Allicin is a sulfur-containing compound extracted from garlic, with antiaggregatory, anti- migratory, anti-oxidant and pulmonary vasodilator actions. "	( Intravenous allicin improves pulmonary blood flow after ischemia-reperfusion injury in rats. Batirel, HF; Kayano, K; Naka, Y; Okada, K; Oz, MC; Pinsky, DJ; Vural, K, 2002)	2.14
"Allicin is shown to be a specific inhibitor of the acetyl-CoA synthetases from plants, yeast and mammals. "	( Allicin, a naturally occurring antibiotic from garlic, specifically inhibits acetyl-CoA synthetase. Feld, A; Focke, M; Lichtenthaler, K, 1990)	3.16

Excerpt	Reference	Relevance
"Allicin has a hepatoprotective effect against APAP-induced liver injury via the decline of oxidative stress and inhibition of the inflammasome pathway and apoptosis."	( Hepatoprotective effect of allicin against acetaminophen-induced liver injury: Role of inflammasome pathway, apoptosis, and liver regeneration. El-Sheakh, AR; Hamed, MF; Samra, YA, 2020)	1.58
"Allicin has an apparent inhibitory effect on proliferation of gastric cancer cells, and can induce their apoptosis."	( Study on the inhibitory effect of allicin on human gastric cancer cell line SGC-7901 and its mechanism. Gao, L; Pan, J; Tao, M; Wang, X, 2014)	1.4
"Allicin has been known to improve wound healing via antimicrobial and anti-inflammatory properties. "	( Anti-inflammatory and Anti-bacterial Effects of Allicin-coated Tracheal Tube on Trachea Mucosa. Jung, H; Lee, JJ; Lee, JS; Park, HS, )	1.83
"Allicin has been found to have numerous functional properties."	( Characterization of the interaction between allicin and soy protein isolate and functional properties of the adducts. He, R; Huang, L; Jia, S; Li, Y; Ma, H; Zhang, Y, 2023)	1.89
"Allicin has a hepatoprotective effect against APAP-induced liver injury via the decline of oxidative stress and inhibition of the inflammasome pathway and apoptosis."	( Hepatoprotective effect of allicin against acetaminophen-induced liver injury: Role of inflammasome pathway, apoptosis, and liver regeneration. El-Sheakh, AR; Hamed, MF; Samra, YA, 2020)	1.58
"Allicin has demonstrated a preference for targeting the thiol-containing proteins and/or enzymes in microorganisms."	( Review: antimicrobial properties of allicin used alone or in combination with other medications. Chin, VK; Chong, PP; Choo, S; Madhavan, P; Tay, ST; Wong, EH; Yong, PVC, 2020)	1.55
"Allicin has been reported to have antibacterial and antiparasitic effects."	( Evaluation of Allicin Against Alveolar Echinococcosis In Vitro and in a Mouse Model. Fan, H; Ge, RL; Guan, L; Liu, C; Ma, L, 2022)	1.8
"Allicin has been reported to play a biological role in human pathophysiological processes via interaction with numerous signaling pathways and gene expression alteration. "	( Allicin ameliorates renal ischemia/reperfusion injury via inhibition of oxidative stress and inflammation in rats. Chen, D; Hu, B; Jin, L; Jin, X; Jin, Y; Li, W; Shan, Y; Xu, G, 2021)	3.51
"Allicin has been reported to promote intestinal health and development."	( Endoplasmic Reticulum Stress and Unfolded Protein Response Pathways Involved in the Health-Promoting Effects of Allicin on the Jejunum. Jiang, Q; Liu, G; Tian, J; Yao, K; Yin, Y, 2019)	1.45
"Allicin has received much attention due to its anti-proliferative activity and not-well elucidated underlying mechanism of action. "	( Nucleic acid binding properties of allicin: spectroscopic analysis and estimation of anti-tumor potential. Mehrotra, R; Pradhan, S; Srivastava, T; Tyagi, G, 2014)	2.12
"Allicin has an apparent inhibitory effect on proliferation of gastric cancer cells, and can induce their apoptosis."	( Study on the inhibitory effect of allicin on human gastric cancer cell line SGC-7901 and its mechanism. Gao, L; Pan, J; Tao, M; Wang, X, 2014)	1.4
"Allicin has anti-inflammatory, antioxidative and proapoptotic properties."	( Allicin alleviates inflammation of trinitrobenzenesulfonic acid-induced rats and suppresses P38 and JNK pathways in Caco-2 cells. Guo, Y; Lei, S; Li, C; Lun, W; Ma, J; Zhao, X; Zhi, F, 2015)	2.58
"Allicin has been shown to be toxic to several mammalian cells in vitro in a dose-dependent manner."	( In situ allicin generation using targeted alliinase delivery for inhibition of MIA PaCa-2 cells via epigenetic changes, oxidative stress and cyclin-dependent kinase inhibitor (CDKI) expression. Akbarsha, MA; Chhabria, SV; Desai, KB; Kharkar, PS; Li, AP, 2015)	1.57
"Allicin has shown antileishmanial activity in vitro and in vivo. "	( Allicin Induces Calcium and Mitochondrial Dysregulation Causing Necrotic Death in Leishmania. Alunda, JM; Benito-Peña, E; Corral, MJ; Cuevas, L; Jiménez-Antón, MD; Moreno-Bondi, MC, 2016)	3.32
"Allicin has antileishmanial effects under in vitro and in vivo conditions and may be used in clinical applications."	( Anti-Leishmanial Activity (In Vitro and In Vivo) of Allicin and Allicin Cream Using Leishmania major (Sub-strain Zymowme LON4) and Balb/c Mice. Al-Olayan, EM; Alkathiri, B; El-Khadragy, MF; Metwally, DM, 2016)	2.13
"Allicin has significant anti-proliferation effect on human colon cancer cell line LoVo by induction of apoptosis and arrestment of cell cycle and can enhance the cytotoxicity of CPT-11 on the colon cancer LoVo cell."	( [Allicin enhances cytotoxicity of CPT-11 to colon cancer LoVo cell in vitro]. Cao, W; Chen, X; Deng, Z; Gao, Y; Liu, H; Liu, Y; Xu, L, 2009)	2.71
"Allicin has protective effects on cerebral ischemia-reperfusion injuries. "	( [Effects of allicin on changes of hemorheology in focal cerebral ischemia-reperfusion injury]. Cheng, XS; Li, CY, 2007)	2.16

Excerpt	Reference	Relevance
"Allicin can suppress liver and cardiac fibrosis; thus, we hypothesized that it might prevent scar tissue from extensive epidural fibrosis after laminectomy."	( Allicin Inhibits Proliferation and Promotes Apoptosis of Human Epidural Scar Fibroblasts. Cai, J; Feng, XM; Sun, HH; Wang, JC; Zhu, SL, 2020)	3.44
"Allicin can suppress human epidural scar fibroblast migration, induce cell apoptosis, and block cell proliferation at S phase and G"	( Allicin Inhibits Proliferation and Promotes Apoptosis of Human Epidural Scar Fibroblasts. Cai, J; Feng, XM; Sun, HH; Wang, JC; Zhu, SL, 2020)	3.44
"Allicin can suppress the activity of VECs probably by regulating JAK2/STAT3 pathway."	( Allicin can suppress the activity of vascular endothelial cells probably by regulating JAK2/STAT3 pathway. Cai, J; Feng, XM; Sun, HH; Wang, JC, 2021)	2.79
"Allicin did not inhibit hemolysin, whereas it did inhibit relative urease activity in both pre-lysed (half-maximum inhibitory concentration, IC50 = 4.15 μg) and intact cells (IC50 = 21 μg) in a concentration-dependent manner."	( Allicin from garlic inhibits the biofilm formation and urease activity of Proteus mirabilis in vitro. Amani, M; Amir Mozafari, N; Arzanlou, M; Peeri Doghaheh, H; Ranjbar-Omid, M; Shokri Al-Hashem, SK, 2015)	2.58
"Allicin did not enhance AmB-induced cell death and the accompanying vacuole disruption when the cells were incubated with exogenous ergosterol for its enrichment in the vacuole."	( The vacuole-targeting fungicidal activity of amphotericin B against the pathogenic fungus Candida albicans and its enhancement by allicin. Borjihan, H; Fujita, K; Hirasawa, E; Ogita, A; Tanaka, T, 2009)	1.28
"Allicin can inhibit the growth of MEC-1 cells in vitro dramatically."	( [Study on inhibitory effects of allicin in mucoepidermoid carcinoma cells]. Chen, Q; Huang, J; Wu, F; Zhou, H, 2010)	2.09
"Allicin could inhibit telomerase activity in a time-dependent and dose-dependent pattern."	( Effects of allicin on both telomerase activity and apoptosis in gastric cancer SGC-7901 cells. Sun, L; Wang, X, 2003)	1.43
"Allicin can inhibit telomerase activity and induce apoptosis of gastric cancer SGC-7901 cells. "	( Effects of allicin on both telomerase activity and apoptosis in gastric cancer SGC-7901 cells. Sun, L; Wang, X, 2003)	2.15
"Allicin failed to activate ERK1/2 in Jurkat T cells that express p21(ras), in which Cys118 was replaced by Ser."	( Allicin stimulates lymphocytes and elicits an antitumor effect: a possible role of p21ras. Lander, HM; Mirelman, D; Miron, T; Novogrodsky, A; Patya, M; Rabinkov, A; Vanichkin, A; Wilchek, M; Zahalka, MA, 2004)	2.49
"Allicin could also enhance the antifungal activity of AmB against the pathogenic fungus Candida albicans and against Aspergillus fumigatus."	( Enhancement of the fungicidal activity of amphotericin B by allicin, an allyl-sulfur compound from garlic, against the yeast Saccharomyces cerevisiae as a model system. Fujita, K; Ogita, A; Tanaka, T; Taniguchi, M, 2006)	1.3

Excerpt	Reference	Relevance
"Allicin pretreatment protects against myocardial I/R and activating the miR-19a-3p/PI3K/AKT pathway."	( Allicin protects against myocardial I/R by accelerating angiogenesis via the miR-19a-3p/PI3K/AKT axis. Deng, X; Fu, D; Gao, T; Jiang, H; Li, X; Liao, J; Liu, M; Shao, M; Yang, P, 2021)	3.51
"The allicin treatment prevented further weight gain, reduced SBP, FBG, glucose intolerance, and dyslipidemia."	( Antioxidant and anti-inflammatory effects of allicin in the kidney of an experimental model of metabolic syndrome. Aparicio Trejo, OE; Arellano Buendia, AS; Argüello-García, R; Bojalil, R; García-Arroyo, F; Juárez Rojas, JG; Osorio-Alonso, H; Sánchez-Lozada, LG; Sánchez-Muñoz, F, 2023)	1.65
"The allicin-treated group received allicin orally (10 mg/kg/d) during 7 days before APAP injection."	( Hepatoprotective effect of allicin against acetaminophen-induced liver injury: Role of inflammasome pathway, apoptosis, and liver regeneration. El-Sheakh, AR; Hamed, MF; Samra, YA, 2020)	1.34
"Allicin pre-treatment inhibited AA-induced inflammation as evidenced by reducing NLRP3 inflammasome activation, decreasing Cleaved-Caspase-1 expression as well as IL-1β, IL-18, IL-6 and TNF-α secretion."	( Allicin alleviated acrylamide-induced NLRP3 inflammasome activation via oxidative stress and endoplasmic reticulum stress in Kupffer cells and SD rats liver. Li, L; Nan, B; Wang, M; Yan, H; Yang, C; Ye, H; Yuan, Y, 2021)	2.79
"Allicin treatment rescued aortic VC and stiffness. "	( Ameliorative effect of allicin on vascular calcification via inhibiting endoplasmic reticulum stress. Feng, L; Lin, P; Ren, Q; Wang, Q; Xie, X; Zhang, B, 2022)	2.47
"Allicin pretreatment significantly improved (p < 0.05) all examined parameters, and restored the cardiac architecture."	( Allicin ameliorates doxorubicin-induced cardiotoxicity in rats via suppression of oxidative stress, inflammation and apoptosis. Abdel-Daim, MM; Ahmed, AAM; Khalifa, HA; Kilany, OE, 2017)	2.62
"Allicin treatment showed reduced production of pro-inflammatory cytokines and NO and increased HO-1 activity."	( Short-term heating reduces the anti-inflammatory effects of fresh raw garlic extracts on the LPS-induced production of NO and pro-inflammatory cytokines by downregulating allicin activity in RAW 264.7 macrophages. Han, J; Hwang, CR; Kang, D; Kang, MJ; Ryu, JH; Shin, JH, 2013)	1.31
"Allicin treatment induced apoptotic cell death in p53 knocked down Hep G2 cells similar to that of Hep 3B cells."	( Allicin induces anti-human liver cancer cells through the p53 gene modulating apoptosis and autophagy. Chu, YL; Chung, JG; Ho, CT; Lo, YC; Raghu, R; Sheen, LY, 2013)	2.55
"Allicin-treated Rhoeo discolor cells lost the ability to plasmolyse in an osmoticum, confirming that their membranes had lost semipermeability after allicin treatment."	( The defense substance allicin from garlic permeabilizes membranes of Beta vulgaris, Rhoeo discolor, Chara corallina and artificial lipid bilayers. Gruhlke, MC; Hemmis, B; Lühring, H; Noll, U; Slusarenko, AJ; Wagner, R, 2015)	1.45
"Allicin treatment also diminished TUNEL positive cells and inhibited the activation of caspase-3 after MCAO."	( Post-injury administration of allicin attenuates ischemic brain injury through sphingosine kinase 2: In vivo and in vitro studies. Cai, WK; Chang, T; Li, WX; Li, ZY; Lin, JJ; Sun, C; Yang, YX; Zhang, Z, 2015)	1.43
"Allicin treatment could block intraintestinal bacterial translocation through increasing the immunologic barrier function of mesenteric lymph node by modulating dendritic cells maturation."	( Allicin ameliorates intraintestinal bacterial translocation after trauma/hemorrhagic shock in rats: The role of mesenteric lymph node dendritic cell. Huang, FF; Liang, TB; Wu, W; Xu, T; Yu, WQ; Zhang, J; Zhang, SY; Zhang, Y, 2017)	2.62
"Allicin treatment attenuated hypertension and improved the renal and the cardiac dysfunctions; furthermore, it decreased the vascular reactivity to angiotensin II, AT1R overexpression, and preserved morphometric parameters."	( Effects of Allicin on Hypertension and Cardiac Function in Chronic Kidney Disease. Arellano-Buendía, AS; Arellano-Mendoza, MG; Argüello-García, R; Castillo-Hernández, MC; García-Arroyo, FE; García-Trejo, EM; Guevara-Balcázar, G; Loredo-Mendoza, ML; Osorio-Alonso, H; Sánchez-Lozada, LG; Tapia, E, 2016)	1.55
"Allicin treatment downregulated the levels of nuclear factor kappaB and phosphorylated p38 mitogen-activated protein kinase but did not modify those of phosphorylated extracellular signal-regulated kinase 1 mitogen-activated protein kinase."	( Allicin, a major component of garlic, inhibits apoptosis in vital organs in rats with trauma/hemorrhagic shock. Chen, ZB; Gao, Y; Huang, FF; Liang, TB; Liang, ZY; Wu, W; Yao, HP; Zhang, Y, 2008)	2.51
"Allicin treatment inhibited proliferation and induced apoptosis in SGC-7901 cancer cells."	( Allicin induces apoptosis in gastric cancer cells through activation of both extrinsic and intrinsic pathways. Dong, N; Gong, Y; Ha, M; Xu, Y; Yuan, Y; Zhang, W, 2010)	2.52
"Allicin-treated cells exhibited significant reduction in biofilm growth (p<0.05) compared to fluconazole-treated and also growth control cells."	( Comparison between allicin and fluconazole in Candida albicans biofilm inhibition and in suppression of HWP1 gene expression. Alizadeh, F; Chong, PP; Harmal, NS; Khodavandi, A; Ng, KP; Othman, F; Scully, OJ; Sekawi, Z; Sidik, SM, 2011)	1.42
"Allicin treatment significantly prolonged survival of infected mice (P < 0.01) from mean survival time (MST) = 7.7 days in untreated mice to MST = 21.3 and 13.9 days for allicin iv and po treated mice, respectively."	( Efficacy of allicin, the reactive molecule of garlic, in inhibiting Aspergillus spp. in vitro, and in a murine model of disseminated aspergillosis. Mirelman, D; Miron, T; Osherov, N; Rabinkov, A; Shadkchan, Y; Shemesh, E; Wilchek, M, 2004)	1.42
"Allicin-treated cells were rendered extremely sensitive to the subsequent Cu(2+) treatment as in the case of SLS-treated cells."	( Synergistic fungicidal activity of Cu(2+) and allicin, an allyl sulfur compound from garlic, and its relation to the role of alkyl hydroperoxide reductase 1 as a cell surface defense in Saccharomyces cerevisiae. Fujita, K; Hirooka, K; Ogita, A; Tanaka, T; Taniguchi, M; Tsutsui, N; Yamamoto, Y, 2005)	1.31
"Allicin treatment significantly reduced the mean serum cholesterol level to 129.99 +/- 2.79 mg/100 mL from a pre-treatment value of 148.10 +/- 8."	( A comparative study on hypocholesterolaemic effect of allicin, whole germinated seeds of bengal gram and guggulipid of gum gugglu. Ghorai, M; Mandal, SC; Pal, M; Pal, SP; Saha, BP, 2000)	1.28
"Pretreatment with allicin changed the pharmacokinetic behavior of orally administered sulfadiazine, by increasing AUC (41.85 vs."	( Allicin affects the pharmacokinetics of sulfadiazine and florfenicol by downregulating the expression of jejunum P-gp and BCRP in broilers. Fang, C; Gong, Q; Huang, J; Wang, L; Wang, X; Wang, Y; Zhang, Y, 2022)	2.49
"Treatment with allicin also inhibited RAGEs and thereby prevented AGE activity, which, in turn, alleviated oxidative stress and promoted insulin secretion."	( Allicin Alleviates Diabetes Mellitus by Inhibiting the Formation of Advanced Glycation End Products. Li, L; Song, Q; Wang, X; Yan, Y; Zhang, X, 2022)	2.5
"Treatment with allicin reversed the molecular, biochemical, and histological changes that occurred with CP exposure."	( Allicin mitigates hepatic injury following cyclophosphamide administration via activation of Nrf2/ARE pathways and through inhibition of inflammatory and apoptotic machinery. Abdel Moneim, AE; Al Sberi, H; Fouda, MS; Kassab, RB; Lokman, MS; Othman, MS; Qiu, G; Sun, C; Sun, D; Yao, L; Yu, J, 2021)	2.4
"Treatment with allicin for 12 weeks ameliorated diabetes-induced morphological alterations of the kidney and decreased FBG, BUN, sCr, triglyceride (TG) and 24 h UAE in diabetic rats."	( Protective effects of allicin on streptozotocin-induced diabetic nephropathy in rats. Huang, H; Jiang, Y; Mao, G; Ruan, Y; Wu, T; Yuan, F; Zheng, H, 2017)	1.11
"Treatment with allicin could attenuate the myocardial infarct area (P<0.05) and relieve the changes of the myocardium. "	( Allicin improves cardiac function by protecting against apoptosis in rat model of myocardial infarction. Hao, XM; He, P; Li, LD; Li, SC; Li, YK; Ma, LN; Zhang, JY, 2017)	2.25
"Treatment with allicin resulted in HCT-116 apoptotic cell death as demonstrated by enhanced hypodiploid DNA content, decreased levels of B-cell non-Hodgkin lymphoma-2 (Bcl-2), increased levels of bax and increased capability of releasing cytochrome c from mitochondria to the cytosol."	( Allicin purified from fresh garlic cloves induces apoptosis in colon cancer cells via Nrf2. Bat-Chen, W; Golan, T; Ludmer, Z; Peri, I; Schwartz, B, 2010)	2.14
"Pretreatment with allicin, the active component of freshly crushed garlic cloves, prevented these alterations."	( Hepatoprotective effect of allicin on tissue defense system in galactosamine/endotoxin challenged rats. Devaki, T; Vimal, V, 2004)	0.94
"Treatment with allicin resulted in morphological changes, DNA fragmentation, hypodiploid DNA contents and the translocation of Bax to mitochondria."	( Caspase-independent cell death by allicin in human epithelial carcinoma cells: involvement of PKA. Cho, SJ; Kwon, HC; Lee, KR; Park, SY; Pyo, S; Rhee, DK, 2005)	0.95
"Treatment with allicin and L-ascorbic acid resulted in reduction of CAs and SCEs."	( Protective role of allicin and L-ascorbic acid against the genotoxic damage induced by chlormadinone acetate in cultured human lymphocytes. Afzal, M; Siddique, YH, 2005)	1
"LDL treatment with allicin significantly inhibited both native LDL and oxidized LDL degradation by isolated mouse macrophages."	( The antiatherogenic effect of allicin: possible mode of action. Ben-Shushan, D; Gonen, A; Harats, D; Levkovitz, H; Mirelman, D; Miron, T; Rabinkov, A; Shaish, A; Ulman, E; Weiner, L; Wilchek, M, 2005)	0.94

Excerpt	Reference	Relevance
"Reports about the safe and successful intravenous (i."	( An overview of the antifungal properties of allicin and its breakdown products--the possibility of a safe and effective antifungal prophylactic. Davis, SR, 2005)	0.59
" Glycidamide has a close relationship to the toxic mechanism of acrylamide."	( Protective effect of allicin against glycidamide-induced toxicity in male and female mice. Chen, DY; Liu, HY; Wang, ET; Yan, HY; Yuan, Y, 2015)	0.74
"Lead (Pb) is a common toxic heavy metal pollutant in the environment that seriously endangers the health of animals."	( Quercetin and Allicin Can Alleviate the Hepatotoxicity of Lead (Pb) through the PI3K Signaling Pathway. Bai, Y; Bian, J; Cai, P; Cao, Q; Gu, J; Liu, X; Liu, Z; Yuan, Y; Zhu, Q; Zou, H, 2021)	0.98

Excerpt	Reference	Relevance
" Pretreatment with allicin changed the pharmacokinetic behavior of orally administered sulfadiazine, by increasing AUC (41."	( Allicin affects the pharmacokinetics of sulfadiazine and florfenicol by downregulating the expression of jejunum P-gp and BCRP in broilers. Fang, C; Gong, Q; Huang, J; Wang, L; Wang, X; Wang, Y; Zhang, Y, 2022)	2.49

Excerpt	Reference	Relevance
"To evaluate the effect of allicin alone or combined with SMZco on murine toxoplasmosis by a specific, rapid, and sensitive PCR technique."	( [PCR in evaluating the effect of allicin and its combination with SMZco on murine toxoplamosis]. Liu, PM; Shan, LY; Yang, XZ, 2003)	0.9
"When SMZco is used in combination with allicin, a much higher efficacy is received in the treatment of acute murine toxoplasmosis."	( [PCR in evaluating the effect of allicin and its combination with SMZco on murine toxoplamosis]. Liu, PM; Shan, LY; Yang, XZ, 2003)	0.87
"To study the killing effect of human herpes simplex virus-thymidine kinase/ganciclovir (HSV-TK/GCV) system combined with allitride and the possible apoptosis mechanism in BIU87 cells."	( [The effect of cell killing and apoptosis by human herpes simplex virus- thymidine kinase/ganciclovir system combined with allitride in BIU87 cells]. Cao, KY; Chen, XJ; Huang, XR; Mao, XP; Qiu, SP; Xu, L; Yuan, GQ, 2005)	0.33
" Determination of MIC alone or in combination with cefazolin/oxacillin against Staphylococcus spp."	( Antibacterial activity of allicin alone and in combination with beta-lactams against Staphylococcus spp. and Pseudomonas aeruginosa. Cai, Y; Liang, BB; Pei, F; Wang, R, 2007)	0.64
" However, when allicin was used in combination with fluconazole or ketoconazole, the MICs were decreased in some isolates."	( In vitro investigation of antifungal activity of allicin alone and in combination with azoles against Candida species. Aala, F; Alizadeh, F; Chong, PP; Khodavandi, A; Sekawi, Z, 2010)	0.97
" This object of this report was to document synergistic effects of artesunate combined with allicin on osteosarcoma cell lines in vitro and in vivo."	( The synergistic anticancer effect of artesunate combined with allicin in osteosarcoma cell line in vitro and in vivo. Huang, Y; Jiang, W; Wang, JP; Yu, XY; Zhang, LY, 2013)	0.85
" Allicin in combination with vancomycin may be a useful anti-infection strategy for the treatment of PJI."	( Lavage with allicin in combination with vancomycin inhibits biofilm formation by Staphylococcus epidermidis in a rabbit model of prosthetic joint infection. Bai, B; Pan, J; Pang, E; Zhai, H, 2014)	1.69
" Recently, it was reported that allicin may function better in combination with other antimicrobials compared to when used alone."	( Review: antimicrobial properties of allicin used alone or in combination with other medications. Chin, VK; Chong, PP; Choo, S; Madhavan, P; Tay, ST; Wong, EH; Yong, PVC, 2020)	1.12
" Since severe events are associated with this compound, its combination with different anticancer drugs or adjuvants would allow the use of a significantly lower dose of 5-FU."	( The Synergistic Antitumor Effect of 5-Fluorouracil Combined with Allicin against Lung and Colorectal Carcinoma Cells. Berindan-Neagoe, I; Fischer-Fodor, E; Jurj, A; Moldovan, CS; Moț, AC; Pârvu, M; Țigu, AB; Toma, VA, 2020)	0.8
" The purpose of this study is to investigate the effects of phytochemicals combined with diet types on breast cancer metastasis."	( Effects of dietary patterns combined with dietary phytochemicals on breast cancer metastasis. Gao, J; Guo, W; Jia, M; Liu, X; Pang, S; Zhang, H, 2021)	0.62
"To study the effects of grape seed proanthocyanidins (GSP) combined with allicin on serum lipids level and vascular damage in a rat model of hyperlipidemia."	( Effect of Grape Seed Procyanidins Combined with Allicin on Lipid Levels in Hyperlipidemic Rats. He, JQ; Sun, LQ; Zhu, CF, 2023)	1.4
"01), demonstrating successful model replication; All doses of GSP in combination with allicin resulted in a reduction in TG, LDL-C, and TC and an enhancement in HDL-C in contrast to the model control (all P<0."	( Effect of Grape Seed Procyanidins Combined with Allicin on Lipid Levels in Hyperlipidemic Rats. He, JQ; Sun, LQ; Zhu, CF, 2023)	1.39
"Studies have shown that GSP combined with allicin can significantly improve blood lipids in hyperlipidemic rats, and this mechanism may be related to antioxidants and reduced endothelial damage."	( Effect of Grape Seed Procyanidins Combined with Allicin on Lipid Levels in Hyperlipidemic Rats. He, JQ; Sun, LQ; Zhu, CF, 2023)	1.43

Excerpt	Reference	Relevance
" The urinary excretion indicates a minimum absorption rate of 65% (35S-allicin) or 73% (vinyldithiines)."	( [The pharmacokinetics of the S35 labeled labeled garlic constituents alliin, allicin and vinyldithiine]. Lachmann, G; Lorenz, D; Radeck, W; Steiper, M, 1994)	0.75
" Taken with other evidence, the efficacy of garlic for lipoprotein metabolism might require allicin bioavailability to be enhanced through the use of, for example, an enteric-coated dose form."	( Hypocholesterolemic effect of an enteric-coated garlic supplement. Kannar, D; Savige, GS; Wahlqvist, ML; Wattanapenpaiboon, N, 2001)	0.53
" In conclusion, allicin and allicin-derived compounds are rapidly metabolized to AMS, a compound which stimulates the production of acetone and which can be used to measure the bioavailability of allicin and, hence, the ability of garlic supplements to represent fresh garlic."	( Allicin and allicin-derived garlic compounds increase breath acetone through allyl methyl sulfide: use in measuring allicin bioavailability. Lawson, LD; Wang, ZJ, 2005)	2.12
" The bioavailability of allyl thiosulfinates from these tablets, measured as breath allyl methyl sulfide, was found to be complete and equivalent to that of crushed fresh garlic."	( Composition, stability, and bioavailability of garlic products used in a clinical trial. Gardner, CD; Lawson, LD, 2005)	0.33
" However, when garlic supplements and garlic foods are consumed, allicin bioavailability or bioequivalence (ABB) has been unknown and in question because allicin formation from alliin and garlic alliinase usually occurs after consumption, under enzyme-inhibiting gastrointestinal conditions."	( Allicin Bioavailability and Bioequivalence from Garlic Supplements and Garlic Foods. Hunsaker, SM; Lawson, LD, 2018)	2.16
"This investigation aimed to increase the bioavailability and anticancer effects of allicin (AC) by encapsulating it in solid lipid nanoparticles (SLN) decorated with chitosan (CS)-conjugated folic acid (FA)."	( Preparation and Characterization of Allicin-Loaded Solid Lipid Nanoparticles Surface-Functionalized with Folic Acid-Bonded Chitosan: Alyasiri, FJ; Ghobeh, M; Tabrizi, MH, 2023)	1.41

Excerpt	Relevance	Reference
" The dosage was: SMZco 400 mg/(kg."	( [PCR in evaluating the effect of allicin and its combination with SMZco on murine toxoplamosis]. Liu, PM; Shan, LY; Yang, XZ, 2003)	0.6
" The identified biochemical effects associated with allicin dosing included elevated then gradually recovered urinary levels of Kreb's cycle intermediates, such as citrate, alpha-ketoglutarate and succinate and increased concentrations of ketones."	( [Metabonomic study on the effects of allicin on rats]. Chen, J; Hang, TJ; Shen, WB; Song, M; Song, Z; Wang, L; Zhang, ZX, 2009)	0.88
"The healthy male Wistar rats fed high fat diet were treated with fenofibrate (80 mg/kg per day) alone, allicin (60 mg/kg per day) alone and a lower dosage of combined therapy (allicin 20 mg/kg per day and fenofibrate 30 mg/kg per day) respectively for 8 weeks."	( The effect of combination therapy of allicin and fenofibrate on high fat diet-induced vascular endothelium dysfunction and liver damage in rats. Li, W; Qiao, X; Qin, S; Song, G; Wang, D; Zuo, C, 2010)	0.85
" In addition, the lower dosage of combined therapy significantly ameliorated severe fatty degeneration of liver cells occurred in the high fat diet fed rat although the single fenofibrate treatment showed spotty necrosis of liver cells and bile duct expansion."	( The effect of combination therapy of allicin and fenofibrate on high fat diet-induced vascular endothelium dysfunction and liver damage in rats. Li, W; Qiao, X; Qin, S; Song, G; Wang, D; Zuo, C, 2010)	0.63
" However, the data on the significance of these effects are inconsistent due to methodological limitations, especially the use of whole garlic cloves which does not allow controlled dosing of the active compound."	( Effects of allicin on cardiovascular risk factors in spontaneously hypertensive rats. Elkayam, A; Grossman, E; Peleg, E; Shabtay, Z; Sharabi, Y, 2013)	0.78
" This combination significantly lowered effective dosage of allicin and effectually overcame bacterial drug-resistance."	( Synergistic Antibacterial Effect and Mechanism of Allicin and an Enterobacter cloacae Bacteriophage. Geng, D; Liu, S; Tao, J; Tao, Z; Wang, J; Wang, Q; Wang, R; Xiao, S; Xu, F, 2023)	1.41

Role	Description
antibacterial agent	A substance (or active part thereof) that kills or slows the growth of bacteria.
[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
sulfoxide	An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).
botanical anti-fungal agent	Heteroorganic entities that are plant metabolites which have significant antifungal properties.
[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]

Pathway	Proteins	Compounds
superpathway of Allium flavor precursors	0	28
alliin metabolism	1	20
glyoxylate cycle	13	36
superpathway of glycolysis, pyruvate dehydrogenase, TCA, and glyoxylate bypass	39	89
superpathway of Allium flavor precursors	5	40
alliin metabolism	2	24
superpathway of glyoxylate bypass and TCA	18	55

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Procathepsin L	Homo sapiens (human)	Ki	9.3000	0.0000	1.1013	9.3000	AID502278
Cathepsin B	Homo sapiens (human)	Ki	8.6000	0.0000	1.2180	8.6000	AID502276
Cysteine protease	Trypanosoma brucei rhodesiense	Ki	5.3100	0.0350	2.5517	5.3100	AID502282
Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)	IC50 (µMol)	0.0110	0.0110	0.0110	0.0110	AID1675137
[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)
Transient receptor potential cation channel subfamily V member 1	Rattus norvegicus (Norway rat)	EC50 (µMol)	51.2200	0.0005	0.4318	2.3800	AID482137
Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)	EC50 (µMol)	1.9100	0.0003	3.1662	10.0000	AID482136
Transient receptor potential cation channel subfamily A member 1	Mus musculus (house mouse)	EC50 (µMol)	1.3200	0.4000	2.7714	10.0000	AID482135
[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)
Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)	Activity	10.0000	0.0990	8.0198	10.0000	AID500219
Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)	Activity	0.0990	0.0100	3.5198	10.0000	AID500214
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
monoatomic ion transport	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
intracellular calcium ion homeostasis	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
cell surface receptor signaling pathway	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
response to cold	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
response to xenobiotic stimulus	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
response to organic substance	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
response to organic cyclic compound	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
sensory perception of pain	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
calcium-mediated signaling	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
response to pain	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
thermoception	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of pain	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of pain	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
protein homotetramerization	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
cellular response to hydrogen peroxide	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
calcium ion transmembrane transport	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
cellular response to organic substance	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
adaptive immune response	Procathepsin L	Homo sapiens (human)
proteolysis	Procathepsin L	Homo sapiens (human)
protein autoprocessing	Procathepsin L	Homo sapiens (human)
fusion of virus membrane with host plasma membrane	Procathepsin L	Homo sapiens (human)
receptor-mediated endocytosis of virus by host cell	Procathepsin L	Homo sapiens (human)
antigen processing and presentation	Procathepsin L	Homo sapiens (human)
antigen processing and presentation of exogenous peptide antigen via MHC class II	Procathepsin L	Homo sapiens (human)
collagen catabolic process	Procathepsin L	Homo sapiens (human)
zymogen activation	Procathepsin L	Homo sapiens (human)
enkephalin processing	Procathepsin L	Homo sapiens (human)
fusion of virus membrane with host endosome membrane	Procathepsin L	Homo sapiens (human)
CD4-positive, alpha-beta T cell lineage commitment	Procathepsin L	Homo sapiens (human)
symbiont entry into host cell	Procathepsin L	Homo sapiens (human)
antigen processing and presentation of peptide antigen	Procathepsin L	Homo sapiens (human)
proteolysis involved in protein catabolic process	Procathepsin L	Homo sapiens (human)
elastin catabolic process	Procathepsin L	Homo sapiens (human)
macrophage apoptotic process	Procathepsin L	Homo sapiens (human)
cellular response to thyroid hormone stimulus	Procathepsin L	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Procathepsin L	Homo sapiens (human)
positive regulation of peptidase activity	Procathepsin L	Homo sapiens (human)
immune response	Procathepsin L	Homo sapiens (human)
proteolysis	Cathepsin B	Homo sapiens (human)
thyroid hormone generation	Cathepsin B	Homo sapiens (human)
collagen catabolic process	Cathepsin B	Homo sapiens (human)
epithelial cell differentiation	Cathepsin B	Homo sapiens (human)
regulation of apoptotic process	Cathepsin B	Homo sapiens (human)
decidualization	Cathepsin B	Homo sapiens (human)
symbiont entry into host cell	Cathepsin B	Homo sapiens (human)
proteolysis involved in protein catabolic process	Cathepsin B	Homo sapiens (human)
cellular response to thyroid hormone stimulus	Cathepsin B	Homo sapiens (human)
thermoception	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
fever generation	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
microglial cell activation	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
diet induced thermogenesis	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
peptide secretion	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
negative regulation of systemic arterial blood pressure	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
lipid metabolic process	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cell surface receptor signaling pathway	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
chemosensory behavior	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
negative regulation of heart rate	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
negative regulation of mitochondrial membrane potential	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
glutamate secretion	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
calcium-mediated signaling	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to heat	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
positive regulation of apoptotic process	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
response to peptide hormone	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
positive regulation of nitric oxide biosynthetic process	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
behavioral response to pain	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
sensory perception of mechanical stimulus	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
detection of temperature stimulus involved in thermoception	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of pain	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of pain	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
protein homotetramerization	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
excitatory postsynaptic potential	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
smooth muscle contraction involved in micturition	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
calcium ion transmembrane transport	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to alkaloid	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to ATP	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to tumor necrosis factor	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to acidic pH	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to temperature stimulus	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
negative regulation of establishment of blood-brain barrier	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
calcium ion import across plasma membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
response to capsazepine	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
cellular response to nerve growth factor stimulus	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
lysine catabolic process	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
lipid transport	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
mitochondrial alpha-ketoglutarate transmembrane transport	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
calcium channel activity	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
channel activity	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
intracellularly gated calcium channel activity	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
identical protein binding	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
temperature-gated cation channel activity	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
fibronectin binding	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activity	Procathepsin L	Homo sapiens (human)
protein binding	Procathepsin L	Homo sapiens (human)
collagen binding	Procathepsin L	Homo sapiens (human)
cysteine-type peptidase activity	Procathepsin L	Homo sapiens (human)
histone binding	Procathepsin L	Homo sapiens (human)
proteoglycan binding	Procathepsin L	Homo sapiens (human)
serpin family protein binding	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activator activity involved in apoptotic process	Procathepsin L	Homo sapiens (human)
cysteine-type endopeptidase activity	Cathepsin B	Homo sapiens (human)
protein binding	Cathepsin B	Homo sapiens (human)
collagen binding	Cathepsin B	Homo sapiens (human)
peptidase activity	Cathepsin B	Homo sapiens (human)
cysteine-type peptidase activity	Cathepsin B	Homo sapiens (human)
proteoglycan binding	Cathepsin B	Homo sapiens (human)
transmembrane signaling receptor activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
extracellular ligand-gated monoatomic ion channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
voltage-gated calcium channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
calcium channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
protein binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
calmodulin binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
ATP binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
intracellularly gated calcium channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
chloride channel regulator activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
phosphatidylinositol binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
identical protein binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
metal ion binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
phosphoprotein binding	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
temperature-gated ion channel activity	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
alpha-ketoglutarate transmembrane transporter activity	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
antiporter activity	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
stereocilium bundle	Transient receptor potential cation channel subfamily A member 1	Homo sapiens (human)
extracellular region	Procathepsin L	Homo sapiens (human)
extracellular space	Procathepsin L	Homo sapiens (human)
nucleus	Procathepsin L	Homo sapiens (human)
lysosome	Procathepsin L	Homo sapiens (human)
multivesicular body	Procathepsin L	Homo sapiens (human)
Golgi apparatus	Procathepsin L	Homo sapiens (human)
plasma membrane	Procathepsin L	Homo sapiens (human)
apical plasma membrane	Procathepsin L	Homo sapiens (human)
endolysosome lumen	Procathepsin L	Homo sapiens (human)
chromaffin granule	Procathepsin L	Homo sapiens (human)
lysosomal lumen	Procathepsin L	Homo sapiens (human)
intracellular membrane-bounded organelle	Procathepsin L	Homo sapiens (human)
collagen-containing extracellular matrix	Procathepsin L	Homo sapiens (human)
extracellular exosome	Procathepsin L	Homo sapiens (human)
endocytic vesicle lumen	Procathepsin L	Homo sapiens (human)
extracellular space	Procathepsin L	Homo sapiens (human)
lysosome	Procathepsin L	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin B	Homo sapiens (human)
extracellular region	Cathepsin B	Homo sapiens (human)
extracellular space	Cathepsin B	Homo sapiens (human)
lysosome	Cathepsin B	Homo sapiens (human)
external side of plasma membrane	Cathepsin B	Homo sapiens (human)
apical plasma membrane	Cathepsin B	Homo sapiens (human)
endolysosome lumen	Cathepsin B	Homo sapiens (human)
melanosome	Cathepsin B	Homo sapiens (human)
perinuclear region of cytoplasm	Cathepsin B	Homo sapiens (human)
collagen-containing extracellular matrix	Cathepsin B	Homo sapiens (human)
extracellular exosome	Cathepsin B	Homo sapiens (human)
peptidase inhibitor complex	Cathepsin B	Homo sapiens (human)
ficolin-1-rich granule lumen	Cathepsin B	Homo sapiens (human)
extracellular space	Cathepsin B	Homo sapiens (human)
lysosome	Cathepsin B	Homo sapiens (human)
plasma membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
external side of plasma membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
dendritic spine membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
neuronal cell body	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
postsynaptic membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
plasma membrane	Transient receptor potential cation channel subfamily V member 1	Homo sapiens (human)
mitochondrial inner membrane	Mitochondrial 2-oxodicarboxylate carrier	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1325131	Antibacterial activity against methicillin-resistant Staphylococcus aureus BAA-1747 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID683730	Antimalarial activity against liver stages of Plasmodium berghei infected in human HepG2 cells assessed as growth inhibition of hepatic parasite before invasion of hepatocytes incubated for 48 hrs followed by compound wash out measured after 3 days by RT-	2012	Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3	Targeting the liver stage of malaria parasites: a yet unmet goal.
AID502284	Antiparasitic activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1675142	Induction of apoptosis in human SK-N-FI cells assessed as PARP cleavage at 12.5 to 50 uM after 6 to 24 hrs by light microscopic analysis
AID1325137	Antibacterial activity against methicillin-resistant Staphylococcus aureus BAA-1747 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325121	Antibacterial activity against ciprofloxacin-resistant Acinetobacter baumannii BAA-1605 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1675141	Antiproliferative activity against human Kelly cells after 24 hrs
AID342987	Decrease in hepatic triglyceride level in hypercholesterolemic Wistar rat at 20 mg/kg, po for 1 week with diet	2008	Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15	Synthesis, DNA binding, and cytotoxic evaluation of new analogs of diallyldisulfide, an active principle of garlic.
AID249812	Weight of triglyceride in liver wet tissue after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID1675145	Induction of apoptosis in human Kelly cells assessed as PARP cleavage at 12.5 to 50 uM after 6 to 24 hrs by light microscopic analysis
AID502290	Inhibition of Plasmodium falciparum falcipain-2 at 20 uM	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1325132	Antibacterial activity against ESBL-producer Klebsiella pneumoniae K6 700603 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325120	Antibacterial activity against ESBL-producer Klebsiella pneumoniae K6 700603 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325135	Antibacterial activity against Enterobacter cloacae ATCC 23355 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID417678	Antiproliferative activity against human B-CLL cells assessed as cell viability after 16 hrs by trypan blue exclusion assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID502278	Inhibition of cathepsin L	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID683732	Antimalarial activity against liver stages of Plasmodium berghei assessed as human HepG2 cells assessed as inhibition of hepatic parasite growth after invasion of hepatocytes incubated for 48 hrs followed by compound wash out measured after 2 days by RT-P	2012	Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3	Targeting the liver stage of malaria parasites: a yet unmet goal.
AID670331	Inhibition of human ENaC alpha-beta-gamma expressed in Xenopus laevis oocytes assessed as effect on transmembrane currents at 100 uM by two-electrode voltage-clamp technique	2012	Bioorganic & medicinal chemistry, Jul-01, Volume: 20, Issue:13	Thiol-reactive compounds from garlic inhibit the epithelial sodium channel (ENaC).
AID500214	Agonist activity at TRPV1	2005	Nature chemical biology, Jul, Volume: 1, Issue:2	Sensing with TRP channels.
AID417673	Antiproliferative activity against human HL60 cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID342988	Decrease in serum triglyceride level in hypercholesterolemic Wistar rat at 20 mg/kg, po for 1 week with diet	2008	Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15	Synthesis, DNA binding, and cytotoxic evaluation of new analogs of diallyldisulfide, an active principle of garlic.
AID482135	Activation of mouse TRPA1 channel	2010	Journal of medicinal chemistry, Jul-22, Volume: 53, Issue:14	Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.
AID683731	Antimalarial activity against liver stages of Plasmodium yoelii 17XNL expressing GFP infected in human HepG2 cells transfected with CD81 assessed as growth inhibition of hepatic parasite after 40 hrs by flow cytometry	2012	Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3	Targeting the liver stage of malaria parasites: a yet unmet goal.
AID417675	Antiproliferative activity against human U937 cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID1675143	Induction of apoptosis in human SK-N-AS cells assessed as PARP cleavage at 12.5 to 50 uM after 6 to 24 hrs by light microscopic analysis
AID509170	Antifungal activity against swollen Aspergillus fumigatus	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Therapy of murine pulmonary aspergillosis with antibody-alliinase conjugates and alliin.
AID502282	Inhibition of Trypanosoma brucei rhodesiense rhodesain	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1675138	Antiproliferative activity against human SK-N-FI cells after 24 hrs
AID1325119	Antibacterial activity against methicillin-resistant Staphylococcus aureus BAA-1747 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1110767	Nematocidal activity against Meloidogyne incognita (root-knot nematode) assessed as inhibition of penetration in tomato root at 25 ug/ml	2002	Annual review of phytopathology, , Volume: 40	Phytochemical based strategies for nematode control.
AID1325160	Antibacterial activity against Staphylococcus aureus after overnight incubation in presence of GSH by double-diffusion assay	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325138	Antibacterial activity against ESBL-producer Klebsiella pneumoniae K6 700603 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID502276	Inhibition of cathepsin B	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID417476	Antiproliferative activity against human Daudi cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID417679	Antiproliferative activity against multidrug-resistant human HT-29 cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID502291	Inhibition of Trypanosoma brucei rhodesiense rhodesain at 20 uM	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID502289	Inhibition of cathepsin L at 20 uM	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1325139	Antibacterial activity against ciprofloxacin-resistant Acinetobacter baumannii BAA-1605 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325122	Antibacterial activity against Pseudomonas aeruginosa ATCC 15442 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID251132	Percent decrease in weight of triglyceride in liver wet tissue after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID1325133	Antibacterial activity against ciprofloxacin-resistant Acinetobacter baumannii BAA-1605 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID417676	Antiproliferative activity against human MOLT4 cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID1325130	Antibacterial activity against vancomycin-resistant Enterococcus faecium ATCC 700221 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1325141	Antibacterial activity against Enterobacter cloacae ATCC 23355 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID243389	Percent decrease in HMG-CoA reductase activity in rat	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID1325118	Antibacterial activity against vancomycin-resistant Enterococcus faecium ATCC 700221 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1675139	Antiproliferative activity against human SK-N-AS cells after 24 hrs
AID251127	Percent decrease in weight of serum cholesterol after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID242962	Ratio of HMG-CoA reductase to mevalinate	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID509171	Antifungal activity against resting Aspergillus fumigatus	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Therapy of murine pulmonary aspergillosis with antibody-alliinase conjugates and alliin.
AID417681	Induction of apoptosis in human B-CLL cells after 48 hrs by FACS analysis	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID482137	Activation of rat TRPV1 channel	2010	Journal of medicinal chemistry, Jul-22, Volume: 53, Issue:14	Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.
AID1675140	Antiproliferative activity against human SK-N-BE(2)-M17 cells after 24 hrs
AID417478	Antiproliferative activity against human NCI-N87 cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID249811	Weight of cholesterol in liver wet tissue after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID1325123	Antibacterial activity against Enterobacter cloacae ATCC 23355 at 50 uM by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID500219	Agonist activity at TRPA1	2005	Nature chemical biology, Jul, Volume: 1, Issue:2	Sensing with TRP channels.
AID1675137	Inhibition of ODC (unknown origin) expressed in Escherichia coli after 30 mins in presence of [1-14C] L-ornithine by liquid scintillation counter analysis
AID502281	Inhibition of Plasmodium falciparum falcipain-2	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID342985	Decrease in hepatic cholesterol level in hypercholesterolemic Wistar rat at 20 mg/kg, po for 1 week with diet	2008	Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15	Synthesis, DNA binding, and cytotoxic evaluation of new analogs of diallyldisulfide, an active principle of garlic.
AID509172	Antifungal activity against Aspergillus fumigatus hyphae	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Therapy of murine pulmonary aspergillosis with antibody-alliinase conjugates and alliin.
AID417477	Antiproliferative activity against human HeLa cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID417677	Antiproliferative activity against human Jurkat cells assessed as [methyl-3H]thymidine incorporation after 16 hrs by XTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Novel derivatives of 6-mercaptopurine: synthesis, characterization and antiproliferative activities of S-allylthio-mercaptopurines.
AID342986	Decrease in serum cholesterol level in hypercholesterolemic Wistar rat at 20 mg/kg, po for 1 week with diet	2008	Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15	Synthesis, DNA binding, and cytotoxic evaluation of new analogs of diallyldisulfide, an active principle of garlic.
AID683729	Antimalarial activity against Plasmodium berghei infected in human Hepa 1-6 cells assessed as inhibition of host cell sporozoite invasion at 10 uM preincubated for 10 mins measured after 1 hr	2012	Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3	Targeting the liver stage of malaria parasites: a yet unmet goal.
AID1325134	Antibacterial activity against Pseudomonas aeruginosa ATCC 15442 at 25 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID482136	Activation of human TRPA1 channel	2010	Journal of medicinal chemistry, Jul-22, Volume: 53, Issue:14	Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.
AID249808	Weight of serum cholesterol after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID502288	Inhibition of cathepsin B at 20 uM	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1325136	Antibacterial activity against vancomycin-resistant Enterococcus faecium ATCC 700221 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID502283	Antiparasitic activity against Plasmodium falciparum	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
AID1675144	Induction of apoptosis in human SK-N-BE(2)-M17 cells assessed as PARP cleavage at 12.5 to 50 uM after 6 to 24 hrs by light microscopic analysis
AID251131	Percent decrease in weight of cholesterol in liver wet tissue after treatment with compound at 20 mg/kg dose for seven days	2004	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 14, Issue:21	Bis[3-(4'-substituted phenyl)prop-2-ene]disulfides as a new class of antihyperlipidemic compounds.
AID1325140	Antibacterial activity against Pseudomonas aeruginosa ATCC 15442 at 50 uM in presence of 10 uM ciprofloxacin by disc diffusion method	2016	Bioorganic & medicinal chemistry letters, 11-15, Volume: 26, Issue:22	Allicin-inspired thiolated fluoroquinolones as antibacterials against ESKAPE pathogens.
AID1346643	Rat TRPV1 (Transient Receptor Potential channels)	2005	Current biology : CB, May-24, Volume: 15, Issue:10	The pungency of garlic: activation of TRPA1 and TRPV1 in response to allicin.
AID1346567	Mouse TRPA1 (Transient Receptor Potential channels)	2005	Current biology : CB, May-24, Volume: 15, Issue:10	The pungency of garlic: activation of TRPA1 and TRPV1 in response to allicin.
AID1346556	Human TRPA1 (Transient Receptor Potential channels)	2005	Proceedings of the National Academy of Sciences of the United States of America, Aug-23, Volume: 102, Issue:34	Pungent products from garlic activate the sensory ion channel TRPA1.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	26 (4.47)	18.7374
1990's	44 (7.56)	18.2507
2000's	145 (24.91)	29.6817
2010's	241 (41.41)	24.3611
2020's	126 (21.65)	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	29 (4.83%)	5.53%
Reviews	44 (7.32%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	528 (87.85%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (4)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Investigating the Gut Microbiota Modulation Effects of Allicin for Cardiovascular Disease Protection and Establishing Microbiota Directed Personalized Nutrition Guidance With Novel Humanized Gnotobiotic Mice Model, Microbial Culturomics and Metabolomic Te [NCT04545879]		9 participants (Actual)	Interventional	2019-03-18	Completed
Garlic Metabolism and Cytochrome P450 Modulation [NCT00122889]		80 participants (Actual)	Observational	2005-07-31	Completed
Dietary Intervention in Stage III/IV Follicular Lymphoma. Impact on Markers of Cell Proliferation, Apoptosis, Host Immune Cell Infiltrate and Oxidative Stress. [NCT00455416]	Phase 2	45 participants (Anticipated)	Interventional	2007-04-30	Recruiting
Phase II, Randomized, Double-blind, Placebo-controlled, Dose-escalation Study on the Effects of Garlic on Hyperlipidemia Induced by HAART in HIV-positive Individuals [NCT00029250]	Phase 2	0 participants (Actual)	Interventional	2001-11-30	Withdrawn
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
2,3-dihydroxybenzoic acid 2,3-dihydroxybenzoic acid: RN given refers to parent cpd. dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.. 2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.	1.98	1	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	3.34	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	7.02	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	2.66	2	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	2.15	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
carnitine [no description available]	2.41	1	0	amino-acid betaine	human metabolite; mouse metabolite
catechol [no description available]	3.11	1	0	catechols	allelochemical; genotoxin; 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).	2.48	2	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.87	3	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	1.98	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	5.79	3	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
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.	3.58	2	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
glycine [no description available]	4.08	1	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
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.01	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
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.	3.82	2	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
histamine [no description available]	6.93	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.06	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	1.94	1	0	diatomic iodine	nutrient
melatonin [no description available]	7.31	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.15	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
porphobilinogen [no description available]	2.08	1	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
purine 1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine.	7.25	1	0	purine
pyridoxal [no description available]	2.07	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	2.03	1	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.	2.73	3	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis	2.02	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.	2.01	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	9.04	3	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
trimethyloxamine trimethyloxamine: used in manufacture of quaternary ammonium cpds; insect attractant; warming agent for gas; oxidant; structure. trimethylamine N-oxide : A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.	4.2	3	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine [no description available]	4.49	3	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.58	2	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
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	3.35	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	2.25	1	0	xanthine	Saccharomyces cerevisiae metabolite
menthol Menthol: A monoterpene cyclohexanol produced from mint oils.	4.34	3	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	2.01	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
2-aminoethoxydiphenyl borate 2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd. 2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.	3.12	1	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	7.25	1	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	3.4	1	1	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	2.41	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.	2.05	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
bay-k-8644 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.. Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644. methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.	3.15	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzyl isothiocyanate benzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinoma	3.15	1	0	benzenes; isothiocyanate	antibacterial drug
berberine [no description available]	3.41	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.	2.1	1	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
carbofuran Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed)	7.31	1	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
eucalyptol [no description available]	3.12	1	0
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	7.48	2	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
dapi DAPI: RN given refers to parent cpd.	2.03	1	0	indoles	fluorochrome
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	3.17	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
disulfiram [no description available]	8.55	2	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
fenofibrate Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE	7.05	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	4.4	6	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.	2.07	1	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	2.58	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	7.11	1	0
2,5-dihydroxybenzoic acid 2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.	1.98	1	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
hexachlorophene Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.	3.17	1	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
hypericin [no description available]	2.01	1	0
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	2.44	2	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.1	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.. ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.	3.53	1	1	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	2.05	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
lansoprazole Lansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.	3.39	1	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position	7.15	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.1	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	3.45	1	1	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclofenamic acid Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.. meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.	2	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	2.11	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
nocodazole [no description available]	2.03	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
methyl methanesulfonate [no description available]	2.71	3	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	2.47	2	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
nicardipine Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents.. nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension.. 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively.	3.15	1	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	3.15	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimodipine Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.	3.15	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nitrendipine Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.. nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.	3.15	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	5.01	3	3	aromatic ether; benzimidazoles; pyridines; sulfoxide
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).	2.11	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
pentoxifylline [no description available]	3.7	1	0	oxopurine
praziquantel azinox: Russian drug	7.63	2	0	isoquinolines
primaquine Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404). primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.	3.17	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
pyrimethamine Maloprim: contains above 2 cpds	3.17	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	3.17	1	0	alkylamine
sulfadiazine Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.	7.41	1	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	2.01	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.11	1	0
sulforaphane sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.	3.65	2	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
temozolomide [no description available]	7.25	1	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
tinidazole Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.. tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent.	2.07	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tolbutamide Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.	1.95	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
delavirdine Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.. delavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.	3.17	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
biguanides Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton.	1.99	1	0	guanidines
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	6.93	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
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.	2.06	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
allyl isothiocyanate allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.	4.34	3	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	3.42	1	1	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
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.	1.98	1	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
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	3.15	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	3.7	1	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.	2.03	1	0	penicillin	antibacterial agent; antibacterial drug
dimethyl sulfone [no description available]	3.15	1	0	sulfone
dithionitrobenzoic acid Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.. dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.	1.98	1	0	nitrobenzoic acid; organic disulfide	indicator
ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.	2.1	1	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.7	3	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	2.47	2	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
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.	2.45	2	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
triamcinolone acetonide Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.. triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.	3.5	1	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
linalool linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.	3.21	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
acrylamide [no description available]	4.78	8	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
pyocyanine Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa.	2.21	1	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.	3.15	1	0	monoterpenoid; phenols	volatile oil component
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.13	1	0	aldehyde; furans	Maillard reaction product; metabolite
cumene cumene : An alkylbenzene that is benzene carrying an isopropyl group.	2.48	2	0	alkylbenzene
benzyl bromide benzyl bromide: structure given in first source. benzyl bromide : A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine.	3.15	1	0	benzyl bromides	lachrymator
boric acid [no description available]	2.01	1	0	boric acids	astringent
ethyl bromoacetate [no description available]	3.15	1	0
acrolein [no description available]	4.13	2	0	enal	herbicide; human xenobiotic metabolite; toxin
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.17	1	0	alkane
chlorobenzene [no description available]	2.17	1	0	monochlorobenzenes	solvent
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.	2.03	1	0	pyrrole; secondary amine
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.17	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	2.01	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
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.	4.6	4	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.	2.01	1	0	ortho- and peri-fused polycyclic arene; perylenes
dibenz(b,f)(1,4)oxazepine [no description available]	3.15	1	0
adamantane Adamantane: A tricyclo bridged hydrocarbon.	2	1	0	adamantanes; polycyclic alkane
thiazoles [no description available]	2.46	2	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
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.	3.78	2	1	diazine; pyrazines	Daphnia magna metabolite
chlormadinone acetate Chlormadinone Acetate: An orally active synthetic progestational hormone used often in combinations as an oral contraceptive (CONTRACEPTIVES, ORAL).	7.02	1	0	corticosteroid hormone
monocrotaline Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment.	2.03	1	0	pyrrolizidine alkaloid
nuciferine nuciferine: CNS depressant; glutamic acid antagonist; RN given refers to (R)-isomer; structure	3.56	1	1
cepharanthine cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.	6.93	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
carvacrol carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).	3.15	1	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
cyanogen bromide Cyanogen Bromide: Cyanogen bromide (CNBr). A compound used in molecular biology to digest some proteins and as a coupling reagent for phosphoroamidate or pyrophosphate internucleotide bonds in DNA duplexes.	1.98	1	0
elemene elemene: a sclerosing and antineoplastic agent isolated from Curcuma wenyujin & Rhizoma zedoariae; beta- and delta- elemene are also available	1.99	1	0
hesperidin Hesperidin: A flavanone glycoside found in CITRUS fruit peels.. hesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.31	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	4.08	1	0	organic molecular entity
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	5.24	11	1	dialdehyde	biomarker
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	7.11	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
lucanthone hydrochloride Schistosomicides: Agents that act systemically to kill adult schistosomes.	2.63	2	0
toluene 2,4-diisocyanate Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.. toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.	3.15	1	0	toluene meta-diisocyanate	allergen; hapten
allyl sulfide allyl sulfide: essence of garlic; inhibits CYP2E1	9.15	13	3	organic sulfide
bromoacetone bromoacetone : An alpha-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon.	3.15	1	0	alpha-bromoketone	lachrymator
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.78	3	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
vinblastine [no description available]	3.17	1	0
tetramethylpyrazine tetramethylpyrazine: found in Ligusticum chuanxiong. tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii).	3.78	2	1	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.	7.52	2	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
tocopherols [no description available]	3.15	1	0
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	4.05	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
diallyl trisulfide [no description available]	4.96	6	0	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent
perillaldehyde perillaldehyde: from oil of Perillae herba; has neuropharmacological actions; RN given refers to cpd without isomeric designation; structure in Merck Index, 9th ed, #6956. perillyl aldehyde : An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4.	3.15	1	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.	13.18	25	1	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
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.	3.15	1	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
methyl methanethiosulfonate S-methyl methanethiosulfonate : A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.	2.42	2	0	sulfonic acid derivative; thiosulfonate ester	metabolite
dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.	2.47	2	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
streptomycin [no description available]	6.93	1	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	2.04	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
chlordantoin chlordantoin: structure	3.15	1	0	imidazolidine-2,4-dione
limonene Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.	3.15	1	0	cycloalkene; p-menthadiene	human metabolite
enbucrilate Enbucrilate: A tissue adhesive that is applied as a monomer to moist tissue and polymerizes to form a bond. It is slowly biodegradable and used in all kinds of surgery, including dental.	2.05	1	0	alpha,beta-unsaturated monocarboxylic acid; nitrile
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	7.02	1	0	D-galactosamine; primary amino compound	toxin
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.43	2	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	2.01	1	0
barium chloride barium chloride: RN given refers to parent cpd. barium chloride : The inorganic dichloride salt of barium.	2.08	1	0	barium salt; inorganic chloride	potassium channel blocker
thiamphenicol [no description available]	2.41	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
tomatine alpha-tomatine: in tomato fruits and vegetative plant tissues; structure in first source	3.11	1	0	alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; immunological adjuvant; phytotoxin
decoquinate Decoquinate: A coccidiostat for poultry.	3.17	1	0
iodine [no description available]	1.94	1	0	halide anion; monoatomic iodine	human metabolite
cannabichromene [no description available]	3.15	1	0	1-benzopyran
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.	3.59	3	0	benzenes; phenyl acetates
calcium oxalate Calcium Oxalate: The calcium salt of oxalic acid, occurring in the urine as crystals and in certain calculi.. calcium oxalate : The calcium salt of oxalic acid, which in excess in the urine may lead to formation of oxalate calculi (kidney stones).	7.21	1	0	organic calcium salt
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.11	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.. cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.	2.03	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	4.41	2	2	penicillin allergen; penicillin	antibacterial drug
flubendazole flubendazole: the p-fluoro analog of mebendazole. flubendazole : A member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	3.45	1	1	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
tobramycin Tobramycin: An aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the PSEUDOMONAS species. It is a 10% component of the antibiotic complex, NEBRAMYCIN, produced by the same species.. tobramycin : A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.	7.04	1	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
dobutamine Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.. dobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.	3.17	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
isovelleral isovelleral: structure given in first source	3.15	1	0	aldehyde
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.4	2	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure	2.11	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
pirfenidone pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.	3.53	1	1	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
sitamaquine [no description available]	3.17	1	0
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	7.95	4	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections.. cefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.	7.44	2	0	cephalosporin	antibacterial drug
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	2.43	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
fura-2 Fura-2: A fluorescent calcium chelating agent which is used to study intracellular calcium in tissues.	1.99	1	0
imiquimod Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.	7.6	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
mibefradil Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.	3.17	1	0	tetralins	T-type calcium channel blocker
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
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	1.97	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
4-vinylphenol 4-vinylphenol: RN given refers to cpd with locants as specified. 4-hydroxystyrene : A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.	3.11	1	0	phenols	human urinary metabolite; human xenobiotic metabolite
u 37883a U 37883A: an antagonist of vascular ATP-sensitive potassium channel openers; structure given in first source	2	1	0
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.	2.08	1	0	organic bromide salt	colorimetric reagent; dye
baicalin [no description available]	3.41	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
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.	2.08	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	2.05	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
allyl methyl sulfide [no description available]	9.34	4	1	organic sulfide
chavicol 4-allylphenol: an inhibitor of aryl-alcohol oxidase; has free radical scavenging activity. chavicol : A phenylpropanoid that is phenol substituted by a prop-2-enyl group at position 4.	3.11	1	0	phenols; phenylpropanoid
perilla ketone perilla ketone: potent lung toxin from Perilla frutescens; structure	3.15	1	0	aromatic ketone
artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	7.6	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
2-hydroxychavicol 2-hydroxychavicol: antimutagen from betel leaf; structure given in first source	3.11	1	0
cromakalim Cromakalim: A potassium-channel opening vasodilator that has been investigated in the management of hypertension. It has also been tried in patients with asthma. (Martindale, The Extra Pharmacopoeia, 30th ed, p352)	2	1	0
dexrazoxane Dexrazoxane: The (+)-enantiomorph of razoxane.	3.17	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
moroxydine [no description available]	6.99	1	0	biguanides
grepafloxacin grepafloxacin: structure in first source	3.17	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
polygodial [no description available]	3.15	1	0	aldehyde
atovaquone Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.. atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.	3.17	1	0	hydroxy-1,2-naphthoquinone
clarithromycin Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.	3.39	1	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	8.56	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	7.05	1	0	iditol	fungal metabolite
glycidamide glycidamide: metabolite of acrylamide; structure given in first source	7.11	1	0
homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration.	7.45	2	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
lopinavir [no description available]	3.17	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
zingiberene zingiberene: in wild tomato; structure in first source. zingiberene : 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale.	2.15	1	0	cyclohexadiene; sesquiterpene
glycidyl nitrate glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids.	2.21	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.	2.75	3	0	D-glucuronic acid	algal metabolite
diosgenin [no description available]	3.56	1	1	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
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.	1.93	1	0	aromatic ether; secondary amino compound	metabolite
artesunic acid [no description available]	2.08	1	0
procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.	7.6	1	0	proanthocyanidin
n(g)-iminoethylornithine [no description available]	2.1	1	0	L-alpha-amino acid
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	7.41	1	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
alliin alliin: nutritional supplement in diet; possible therapeutic use in anemia and splenic hypertrophy; structure. alliin : An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.	7.94	24	1	alpha-amino acid
3-(2,2,2-trimethylhydrazine)propionate 3-(2,2,2-trimethylhydrazine)propionate: structural analog of gamma-butyrobetaine, also of carnitine; antianginal compound; MET-88 is dihydrate; structure given in first source. meldonium : An ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes.	2.41	1	0	ammonium betaine	cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent
methotrexate [no description available]	7.6	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
beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.	7.03	1	0	beta-lactam antibiotic allergen; beta-lactam
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.41	2	0	oxygen hydride; oxygen radical; reactive oxygen species
camphora camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor.	4.05	2	0	camphor
cannabidiolic acid cannabidiolic acid: structure. cannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.	3.15	1	0	dihydroxybenzoic acid; phytocannabinoid; polyketide; resorcinols
methylselenic acid methylseleninic acid : An organoselenium compound that is seleninic acid in which the hydrogen attached to selenium is replaced by a methyl group.	3.15	1	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
dihydroguaiaretic acid dihydroguaiaretic acid: lignan extracted form Larrea divaricata; inhibitory to beef heart mitochondrial succinoxidase & NADH-oxidase; RN given refers to cpd without isomeric designation	3.11	1	0
ag 3-5 icilin: a cooling compound that activates TRPM8	4.34	3	0	C-nitro compound
pyridoxal 5'-sulfate [no description available]	2.07	1	0
angiotensin ii Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).	2.52	2	0	amino acid zwitterion; angiotensin II	human metabolite
3-n-butyl-4,5-dihydrophthalide 3-N-butyl-4,5-dihydrophthalide: from seeds of Apium graveolens Linn.; RN given refers to (-)-isomer; structure given in first source	3.11	1	0
sb 203580 [no description available]	2.07	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.	2.03	1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2.13	1	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
leupeptins Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins.	2.01	1	0
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	1.98	1	0	3,5-dihydroxy-3-methylpentanoic acid
saquinavir Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.	3.54	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
gingerol gingerol: an active ingredient in GINGER along with SHOGAOL. a nonvolatile methoxy phenyl decanone. gingerol : A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger.	7.41	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
dioncophylline a dioncophylline A: derived from the tropical vine Triphyophyllum peltatum; structure given in first source. dioncophylline A : An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites.	3.17	1	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.02	1	0	cyclodextrin
ergosterol [no description available]	7.74	3	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	2.66	3	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
prostaglandin h2 Prostaglandin H2: A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins.	1.97	1	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
3-hydroxy-3-methylglutaryl-coenzyme a 3-hydroxy-3-methylglutaryl-coenzyme A: RN given refers to cpd without isomeric designation. 3-hydroxy-3-methylglutaryl-CoA : An alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid.. (3S)-3-hydroxy-3-methylglutaryl-CoA : A 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration.	1.98	1	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	4.42	3	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
eicosapentaenoic acid icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.	3.52	2	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
mupirocin Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.. mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections.	2.02	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
clindamycin Clindamycin: An antibacterial agent that is a semisynthetic analog of LINCOMYCIN.. clindamycin : A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.	3.17	1	0
lycopene [no description available]	4.4	3	0	acyclic carotene	antioxidant; plant metabolite
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	3.17	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
2-butenal crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position.	3.15	1	0	enal
wr 225448 WR 225448: used as prophylaxis for Plasmodium yoelii infections; structure given in first source	3.17	1	0
gamma-sitosterol clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3.	2.07	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
benzyloxycarbonylleucyl-leucyl-leucine aldehyde benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.	2.01	1	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.	3.36	1	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	2.01	1	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.	4.71	3	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
glycosides [no description available]	2.07	1	0
citral citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange.	2.15	1	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	3.12	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	3.59	2	0	stilbene
flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)	2.25	1	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
cannabidiol Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.	3.15	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
sesquiterpenes [no description available]	2.44	2	0
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	7.46	2	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
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.	5.62	7	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
hc 030031 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker	3.15	1	0
thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.	2.41	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
urb 597 cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester: a fatty acid amide hydrolase inhibitor; structure in first source	3.15	1	0	biphenyls
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	9.77	5	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine [no description available]	3.13	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
D-fructopyranose [no description available]	2.7	3	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
4-thiopyridine 4-thiopyridine: RN given refers to 4-thiopyridine cpd	2.01	1	0
thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.	7.31	1	0	thiocarboxamide	hepatotoxic agent
succimer Succimer: A mercaptodicarboxylic acid used as an antidote to heavy metal poisoning because it forms strong chelates with them.. succimer : A sulfur-containing carboxylic acid that is succinic acid bearing two mercapto substituents at positions 2 and 3. A lead chelator used as an antedote to lead poisoning.	2.05	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
tamoxifen [no description available]	7.1	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]	2.25	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)	2.1	1	0
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.07	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
prosultiamine prosultiamine: RN given refers to parent cpd; structure	3.43	1	1
2,3,4-tri-o-acetylarabinopyranosyl isothiocyanate 2,3,4-tri-O-acetylarabinopyranosyl isothiocyanate: RN given refers to (alpha-D)-isomer	2.05	1	0
cytellin cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982	2.07	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	2.34	2	0
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	2.13	1	0
quercetin [no description available]	3.71	2	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
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	1.97	1	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	4.36	3	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	9.17	3	1	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
thromboxane a2 Thromboxane A2: An unstable intermediate between the prostaglandin endoperoxides and thromboxane B2. The compound has a bicyclic oxaneoxetane structure. It is a potent inducer of platelet aggregation and causes vasoconstriction. It is the principal component of rabbit aorta contracting substance (RCS).. thromboxane A2 : A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation.	2.07	1	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
8,11,14-eicosatrienoic acid 8,11,14-Eicosatrienoic Acid: A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5.. all-cis-icosa-8,11,14-trienoic acid : An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14.	1.97	1	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	3.21	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
kaempferol [no description available]	2.07	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
prostaglandin a2 prostaglandin A2: RN given refers to (5Z,13E,15S)-isomer	3.15	1	0	prostaglandins A	human metabolite
genistein [no description available]	3.17	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	4.94	11	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
astaxanthine astaxanthine: a keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; structure; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities. astaxanthin : A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.	3.41	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	3.21	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein [no description available]	2.03	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
Pinosylvin methyl ether [no description available]	3.11	1	0	stilbenoid
prostaglandin a1 [no description available]	3.15	1	0	prostaglandins A
anandamide anandamide : An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine.	3.12	1	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.	1.97	1	0	thromboxanes B	human metabolite; mouse metabolite
4-hydroxy-2-nonenal 4-hydroxy-2-nonenal: cytotoxic product from peroxidation of liver microsomal lipids; RN given refers to cpd without isomeric designation. 4-hydroxynon-2-enal : An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position.. 4-hydroxynonenal : A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.	3.15	1	0	4-hydroxynon-2-enal; 4-hydroxynonenal
amsonic acid amsonic acid: RN given refers to parent cpd	2.6	1	0
methyl linoleate [no description available]	2.43	2	0	fatty acid methyl ester	plant metabolite
diminazene aceturate diminazene diaceturate : An N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine.	2.1	1	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
olvanil [no description available]	3.12	1	0	methoxybenzenes; phenols
15-deoxy-delta(12,14)-prostaglandin j2 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions. 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions.	3.15	1	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
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.	3.15	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	3.17	1	0	chalcones
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	3.23	5	0	carbon group element atom; elemental lead; metal atom	neurotoxin
farnesylthioacetic acid farnesylthioacetic acid: a competitive inhibitor of isoprenylated protein methyltransferase; structure in first source	3.15	1	0
10-hydroxy-11,12-epoxyeicosa-5,8,14-trienoic acid 10-hydroxy-11,12-epoxyeicosa-5,8,14-trienoic acid: structure in 2nd source	1.97	1	0
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid: A stable prostaglandin endoperoxide analog which serves as a thromboxane mimetic. Its actions include mimicking the hydro-osmotic effect of VASOPRESSIN and activation of TYPE C PHOSPHOLIPASES. (From J Pharmacol Exp Ther 1983;224(1): 108-117; Biochem J 1984;222(1):103-110)	2	1	0
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	8.7	1	1	metal atom; pnictogen
dextromethorphan Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.	3.4	1	1	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	5.65	14	0	chalcogen; nonmetal atom	macronutrient
2-pentenal 2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.	3.15	1	0	2-pentenal	plant metabolite
ajoene ajoene: major antiplatelet compound in methanol extract of garlic; also inhibits trypanothione reductase.	6.12	16	0	sulfoxide
enalapril Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).	7	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	9.13	48	1	cysteinium	fundamental metabolite
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source	2.6	1	0
s-trans,trans-farnesylthiosalicylic acid farnesylthiosalicylic acid: structure in first source	3.15	1	0	sesquiterpenoid
8,11,12-trihydroxy-5,9,14-eicosatrienoic acid 8,11,12-trihydroxy-5,9,14-eicosatrienoic acid: structure	1.97	1	0
ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.	7.15	1	0	ammonium salt; inorganic sulfate salt	fertilizer
selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.	4.59	4	0	chalcogen; nonmetal atom	micronutrient
4-oxo-2-nonenal 4-oxo-2-nonenal: reacts with 2'-deoxyguanosine; a product of lipid peroxidation; structure in first source. (E)-4-oxonon-2-enal : The enal that is (E)-non-2-enal substituted with an oxo group at C-4.	3.15	1	0	enal; enone	human metabolite
bay-k-8644, (-)-isomer (S)-Bay-K-8644 : A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration.	3.15	1	0	(trifluoromethyl)benzenes; methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
bay-k-8644 (R)-Bay-K-8644 : A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (R)-configuration.	3.15	1	0	(trifluoromethyl)benzenes; methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	2.52	2	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist	3.15	1	0
s-allylcysteine S-allylcysteine: structure in first source; RN given refers to (L)-isomer. S-allylcysteine : An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity.	9.64	8	0	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite
s-allylmercaptocysteine S-allylmercaptocysteine: a potent inhibitor of cell proliferation	2.71	3	0
sincalide Sincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.	2.25	1	0	oligopeptide
dc 107 leinamycin: a thiazole containing macrolide characterized by an unusual 1,3-dioxo-1,2-dithiolane moiety that is spiro fused to an 18 member macrolactam ring; isolated from Streptomyces; MF C22-H26-N2-O6-S3; possible DNA alkylator; the leinamycin biosynthetic gene cluster from Streptomyces atroolivaceus S-140 consists of two polyketide synthases genes	2.03	1	0	dithiolanes
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	3.39	6	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
methionine sulfoxide methionine sulfoxide: RN given refers to cpd without isomeric designation. L-methionine (R)-S-oxide : The (R)-oxido diastereomer of L-methionine S-oxide.	3.15	1	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
s-benzyl phenylmethanethiosulfinate S-benzyl phenylmethanethiosulfinate: an antioxidant; structure in first source	2.05	1	0
ly 411575 [no description available]	3.17	1	0	dibenzoazepine; difluorobenzene; lactam; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor
epoxomicin [no description available]	3.17	1	0	morpholines; tripeptide	proteasome inhibitor
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2.05	1	0	nystatins
dextrothyroxine [no description available]	2.6	1	0
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.07	1	0
allithiamine allithiamine: RN given refers to parent cpd; structure	1.96	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.	3.35	6	0
sphingosine kinase [no description available]	7.11	1	0
chitosan [no description available]	3.11	3	0
sarkosyl sarkosyl: RN given is for sarkosyl L, the parent cpd; structure	2.02	1	0
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	2	1	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	5.8	3	0
mannans [no description available]	2.17	1	0
8-iso-prostaglandin a2 8-isoprostaglandin A2: a cyclopentenone isoprostane	3.15	1	0	prostanoid
glycolipids [no description available]	2.21	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	3.92	4	0
miogadial miogadial: responsible for hot taste of myoga, Zingiber mioga; structure in first source	3.15	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.	6.96	8	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	3.17	1	0
oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.	2.01	1	0
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	1.98	1	0	monohydroxybenzoate	plant metabolite
zinc gluconate glycine zinc gluconate glycine: sugar-free lozenges for symptomatic relief of common cold	4.08	1	0
betalains Betalains: Compounds derived from TYROSINE via betalamic acid, including BETAXANTHINS and BETACYANINS. They are found in the Caryophyllales order of PLANTS and some BASIDIOMYCETES.	3.41	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.	2.48	2	0
phytoestrogens Phytoestrogens: Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.	3.57	2	0
brass [no description available]	2.17	1	0
pyrethrins [no description available]	2.11	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.	1.95	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).	7.15	1	0
flavin mononucleotide Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.	2.41	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.	2.05	1	0
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	2.41	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
deoxyguanosine [no description available]	2.07	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hypoxanthine [no description available]	2.25	1	0	nucleobase analogue; oxopurine; purine nucleobase	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.	3.01	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	3.17	1	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
ganciclovir [no description available]	2.02	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	2.07	1	0	guanosines	biomarker
fructooligosaccharide [no description available]	2.01	1	0	oligosaccharide
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	7.02	1	0
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	2.02	1	0
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	2.03	1	0
filipin Filipin: A complex of polyene antibiotics obtained from Streptomyces filipinensis. Filipin III alters membrane function by interfering with membrane sterols, inhibits mitochondrial respiration, and is proposed as an antifungal agent. Filipins I, II, and IV are less important.	2.05	1	0

Condition	Relationship Strength	Studies	Trials
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.7	9	0
Hyperlipemia [description not available]	4.06	5	0
Hyperlipidemias Conditions with excess LIPIDS in the blood.	4.06	5	0
Elevated Cholesterol [description not available]	7.94	14	2
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	7.94	14	2
Aspergilloses, Bronchopulmonary [description not available]	2.05	1	0
Pulmonary Aspergillosis Infections of the respiratory tract with fungi of the genus ASPERGILLUS.	2.05	1	0
Airflow Obstruction, Chronic [description not available]	2.97	1	0
Asthma, Bronchial [description not available]	2.97	1	0
Ache [description not available]	5.04	3	1
Peripheral Nerve Diseases [description not available]	2.97	1	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	2.97	1	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	5.04	3	1
Peripheral Nervous System Diseases Diseases of the peripheral nerves external to the brain and spinal cord, which includes diseases of the nerve roots, ganglia, plexi, autonomic nerves, sensory nerves, and motor nerves.	2.97	1	0
Pulmonary Disease, Chronic Obstructive A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.	2.97	1	0
African Sleeping Sickness [description not available]	2.05	1	0
Plasmodium falciparum Malaria [description not available]	2.05	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.	2.05	1	0
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	2.05	1	0
Infections, Plasmodium [description not available]	3.66	3	0
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	3.66	3	0
Bacterial Disease [description not available]	2.13	1	0
Bacterial Infections Infections by bacteria, general or unspecified.	2.13	1	0
Pericementitis [description not available]	2.82	2	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	2.82	2	0
Injury, Ischemia-Reperfusion [description not available]	3.78	10	0
Heart Disease, Ischemic [description not available]	2.78	3	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	3.78	10	0
Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION).	7.78	3	0
Breast Cancer [description not available]	8.92	4	0
Breast Neoplasms Tumors or cancer of the human BREAST.	3.92	4	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	3.79	3	0
Innate Inflammatory Response [description not available]	6.72	17	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.	6.72	17	0
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	7.41	1	0
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	8.57	6	0
Atherogenesis [description not available]	5.48	6	0
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	5.48	6	0
Benign Neoplasms [description not available]	6.86	11	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.	6.86	11	0
Cardiac Toxicity [description not available]	2.63	2	0
Cardiotoxicity Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.	2.63	2	0
Fungal Diseases [description not available]	3.62	3	0
Mycoses Diseases caused by FUNGI.	8.62	3	0
Acute Confusional Senile Dementia [description not available]	3.75	3	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)	3.75	3	0
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	6.59	7	0
Cardiac Remodeling, Ventricular [description not available]	2.41	1	0
Blood Pressure, High [description not available]	4.58	9	0
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	4.58	9	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	5.76	30	0
Palmoplantaris Pustulosis [description not available]	2.55	2	0
Dermatitis Any inflammation of the skin.	2.6	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.	7.55	2	0
Alloxan Diabetes [description not available]	8.57	8	0
Cancer of Lung [description not available]	3.14	4	0
Lung Neoplasms Tumors or cancer of the LUNG.	3.14	4	0
Mastitis, Bovine INFLAMMATION of the UDDER in cows.	2.6	1	0
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	4.98	4	2
Acariasis [description not available]	2.6	1	0
2019 Novel Coronavirus Disease [description not available]	3.07	3	0
Disseminated Trichosporonosis [description not available]	2.6	1	0
Blue-Eared Pig Disease [description not available]	2.6	1	0
Cirrhosis [description not available]	3.4	6	0
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	2.6	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	3.4	6	0
Diabetic Cardiomyopathies Diabetes complications in which VENTRICULAR REMODELING in the absence of CORONARY ATHEROSCLEROSIS and hypertension results in cardiac dysfunctions, typically LEFT VENTRICULAR DYSFUNCTION. The changes also result in myocardial hypertrophy, myocardial necrosis and fibrosis, and collagen deposition due to impaired glucose tolerance.	2.6	1	0
Chronic Kidney Diseases [description not available]	3.32	5	0
Chronic Kidney Failure [description not available]	2.6	1	0
Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.	2.6	1	0
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	3.32	5	0
Heritable Pulmonary Arterial Hypertension [description not available]	2.6	1	0
Pulmonary Arterial Remodeling [description not available]	2.6	1	0
Pulmonary Arterial Hypertension A progressive rare pulmonary disease characterized by high blood pressure in the PULMONARY ARTERY.	7.6	1	0
Hypertrophy General increase in bulk of a part or organ due to CELL ENLARGEMENT and accumulation of FLUIDS AND SECRETIONS, not due to tumor formation, nor to an increase in the number of cells (HYPERPLASIA).	2.57	2	0
Familial Primary Pulmonary Hypertension Familial or idiopathic hypertension in the PULMONARY CIRCULATION which is not secondary to other disease.	2.6	1	0
Impaired Glucose Tolerance [description not available]	2.6	1	0
Cardiometabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY.	3.91	4	0
Glucose Intolerance A pathological state in which BLOOD GLUCOSE level is less than approximately 140 mg/100 ml of PLASMA at fasting, and above approximately 200 mg/100 ml plasma at 30-, 60-, or 90-minute during a GLUCOSE TOLERANCE TEST. This condition is seen frequently in DIABETES MELLITUS, but also occurs with other diseases and MALNUTRITION.	2.6	1	0
Metabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state.	3.91	4	0
Oral Submucous Fibrosis Irreversible FIBROSIS of the submucosal tissue of the MOUTH.	9.92	2	1
Anoxia-Ischemia, Brain [description not available]	2.6	1	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	4.51	4	1
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	2.6	1	0
Brain Hemorrhage, Cerebral [description not available]	2.6	1	0
Cerebral Hemorrhage Bleeding into one or both CEREBRAL HEMISPHERES including the BASAL GANGLIA and the CEREBRAL CORTEX. It is often associated with HYPERTENSION and CRANIOCEREBRAL TRAUMA.	7.6	1	0
Hematoma A collection of blood outside the BLOOD VESSELS. Hematoma can be localized in an organ, space, or tissue.	2.6	1	0
Insulin Sensitivity [description not available]	2.72	2	0
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	2.72	2	0
Infections, Staphylococcal [description not available]	3.04	4	0
Mastitis INFLAMMATION of the BREAST, or MAMMARY GLAND.	2.21	1	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	3.04	4	0
Debility [description not available]	2.25	1	0
Age-Related Osteoporosis [description not available]	2.25	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	2.84	3	0
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	7.25	1	0
Weight Gain Increase in BODY WEIGHT over existing weight.	2.74	3	0
Cicatrization The formation of fibrous tissue in the place of normal tissue during the process of WOUND HEALING. It includes scar tissue formation occurring in healing internal organs as well as in the skin after surface injuries.	2.25	1	0
Cicatrix The fibrous tissue that replaces normal tissue during the process of WOUND HEALING.	2.25	1	0
Acute Liver Injury, Drug-Induced [description not available]	3.02	4	0
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	3.02	4	0
Alcoholic Fatty Liver [description not available]	7.58	2	0
Benign Neoplasms, Brain [description not available]	2.25	1	0
Astrocytoma, Grade IV [description not available]	2.53	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.	2.25	1	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.	2.53	2	0
Candidiasis, Genital [description not available]	2.25	1	0
Candidiasis, Vulvovaginal Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA.	2.25	1	0
Diabetic Angiopathies VASCULAR DISEASES that are associated with DIABETES MELLITUS.	2.25	1	0
Nervous System Disorders [description not available]	3.17	1	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	3.17	1	0
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	2.25	1	0
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	2.25	1	0
Colorectal Cancer [description not available]	7.25	1	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.	2.25	1	0
Metastase [description not available]	2.83	3	0
Cancer of Stomach [description not available]	6.54	10	1
Invasiveness, Neoplasm [description not available]	2.51	2	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	2.83	3	0
Stomach Neoplasms Tumors or cancer of the STOMACH.	6.54	10	1
Diseases, Metabolic [description not available]	2.25	1	0
Metabolic Diseases Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)	2.25	1	0
Diabetic Feet [description not available]	3.98	2	1
Diabetic Foot Common foot problems in persons with DIABETES MELLITUS, caused by any combination of factors such as DIABETIC NEUROPATHIES; PERIPHERAL VASCULAR DISEASES; and INFECTION. With the loss of sensation and poor circulation, injuries and infections often lead to severe foot ulceration, GANGRENE and AMPUTATION.	3.98	2	1
Aspergillus Infection [description not available]	2.48	2	0
Aspergillosis Infections with fungi of the genus ASPERGILLUS.	7.48	2	0
Cardiovascular Stroke [description not available]	3.11	4	0
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	3.11	4	0
Infections, Helicobacter [description not available]	5.03	3	3
Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease.	5.03	3	3
Aseptic Necrosis of Femur Head [description not available]	2.25	1	0
Carcinoma, Non-Small Cell Lung [description not available]	2.55	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.	2.55	2	0
Gout Metabolic disorder characterized by recurrent acute arthritis, hyperuricemia and deposition of sodium urate in and around the joints, sometimes with formation of URIC ACID calculi.	2.25	1	0
Cicatrix, Hypertrophic An elevated scar, resembling a KELOID, but which does not spread into surrounding tissues. It is formed by enlargement and overgrowth of cicatricial tissue and regresses spontaneously.	2.31	1	0
Cells, Neoplasm Circulating [description not available]	2.31	1	0
Degenerative Disc Disease [description not available]	2.25	1	0
Intervertebral Disc Degeneration Degenerative changes in the INTERVERTEBRAL DISC due to aging or structural damage, especially to the vertebral end-plates.	2.25	1	0
Kahler Disease [description not available]	2.31	1	0
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	2.31	1	0
Encephalopathy, Hepatic [description not available]	2.31	1	0
Hepatic Encephalopathy A syndrome characterized by central nervous system dysfunction in association with LIVER FAILURE, including portal-systemic shunts. Clinical features include lethargy and CONFUSION (frequently progressing to COMA); ASTERIXIS; NYSTAGMUS, PATHOLOGIC; brisk oculovestibular reflexes; decorticate and decerebrate posturing; MUSCLE SPASTICITY; and bilateral extensor plantar reflexes (see REFLEX, BABINSKI). ELECTROENCEPHALOGRAPHY may demonstrate triphasic waves. (From Adams et al., Principles of Neurology, 6th ed, pp1117-20; Plum & Posner, Diagnosis of Stupor and Coma, 3rd ed, p222-5)	7.31	1	0
Injury, Myocardial Reperfusion [description not available]	2.72	2	0
Cancer-Associated Pain [description not available]	2.31	1	0
Cancer of Mouth [description not available]	2.47	2	0
Cancer Pain Pain that may be caused by or related to cellular, tissue, and systemic changes that occur during NEOPLASM growth, tissue invasion, and METASTASIS.	7.31	1	0
Mouth Neoplasms Tumors or cancer of the MOUTH.	2.47	2	0
Cystic Echinococcosis [description not available]	2.41	1	0
Vascular Calcification Deposition of calcium into the blood vessel structures. Excessive calcification of the vessels are associated with ATHEROSCLEROTIC PLAQUES formation particularly after MYOCARDIAL INFARCTION (see MONCKEBERG MEDIAL CALCIFIC SCLEROSIS) and chronic kidney diseases which in turn increase VASCULAR STIFFNESS.	7.41	1	0
Schistosoma mansoni Infection [description not available]	2.63	2	0
Schistosomiasis mansoni Schistosomiasis caused by Schistosoma mansoni. It is endemic in Africa, the Middle East, South America, and the Caribbean and affects mainly the bowel, spleen, and liver.	2.63	2	0
Pulmonary Hypertension [description not available]	2.74	3	0
Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES.	2.74	3	0
Cognitive Decline [description not available]	2.17	1	0
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	2.17	1	0
Glial Cell Tumors [description not available]	2.17	1	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)	7.17	1	0
Lung Injury, Acute [description not available]	2.59	2	0
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	7.59	2	0
Ejaculatio Praecox [description not available]	3.56	1	1
Impotence [description not available]	3.56	1	1
Erectile Dysfunction The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction.	3.56	1	1
Premature Ejaculation The emission of SEMEN and seminal fluid during the act of preparation for sexual intercourse, i.e. before there is penetration, or shortly after penetration.	3.56	1	1
Cholangiocellular Carcinoma [description not available]	2.17	1	0
Bile Duct Cancer [description not available]	2.17	1	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.	7.17	1	0
Disease Exacerbation [description not available]	2.58	2	0
Osteoarthritis of Knee [description not available]	2.17	1	0
Osteoarthritis, Knee Noninflammatory degenerative disease of the knee joint consisting of three large categories: conditions that block normal synchronous movement, conditions that produce abnormal pathways of motion, and conditions that cause stress concentration resulting in changes to articular cartilage. (Crenshaw, Campbell's Operative Orthopaedics, 8th ed, p2019)	2.17	1	0
Diabetic Glomerulosclerosis [description not available]	2.57	2	0
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	2.57	2	0
Nephrolithiasis Formation of stones in the KIDNEY.	2.21	1	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.	2.81	3	0
Angiogenesis, Pathologic [description not available]	2.49	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.	2.81	3	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	2.61	2	0
Koch's Disease [description not available]	2.21	1	0
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	7.21	1	0
Acute Brain Injuries [description not available]	3.03	4	0
Hemorrhage, Subarachnoid [description not available]	2.21	1	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	3.03	4	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	7.21	1	0
Blood Poisoning [description not available]	2.21	1	0
Chronic Lung Injury [description not available]	2.53	2	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	7.21	1	0
Poisoning, Lead [description not available]	2.99	4	0
Academic Disorder, Developmental [description not available]	2.21	1	0
Age-Related Memory Disorders [description not available]	2.78	3	0
Delayed Effects, Prenatal Exposure [description not available]	2.21	1	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	7.99	4	0
Learning Disabilities Conditions characterized by a significant discrepancy between an individual's perceived level of intellect and their ability to acquire new language and other cognitive skills. These may result from organic or psychological conditions. Relatively common subtypes include DYSLEXIA, DYSCALCULIA, and DYSGRAPHIA.	2.21	1	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	2.78	3	0
Cancer of Colon [description not available]	3.29	6	0
Colonic Neoplasms Tumors or cancer of the COLON.	3.29	6	0
Carotid Arteriopathies, Traumatic [description not available]	2.08	1	0
Neointima The new and thickened layer of scar tissue that forms on a PROSTHESIS, or as a result of vessel injury especially following ANGIOPLASTY or stent placement.	2.08	1	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	2.08	1	0
Campylobacter Infection [description not available]	3.82	2	1
Arrhythmia [description not available]	2.08	1	0
Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction.	2.08	1	0
Hyperhomocysteinemia Condition in which the plasma levels of homocysteine and related metabolites are elevated (	7.08	1	0
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	2.99	4	0
Helminthiasis, Animal Infestation of animals with parasitic worms of the helminth class. The infestation may be experimental or veterinary.	2.1	1	0
Ectoparasitic Infestations Infestations by PARASITES which live on, or burrow into, the surface of their host's EPIDERMIS. Most ectoparasites are ARTHROPODS.	2.1	1	0
Cancer of Liver [description not available]	4.05	5	0
Liver Neoplasms Tumors or cancer of the LIVER.	4.05	5	0
Bone Cancer [description not available]	2.08	1	0
Osteogenic Sarcoma [description not available]	2.08	1	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	2.08	1	0
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	7.08	1	0
Cancer of Pancreas [description not available]	3.6	8	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).	3.6	8	0
Parasitemia The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed)	2.75	3	0
Babesia Infection [description not available]	2.1	1	0
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	3.01	1	0
Ankylosing Spondylarthritis [description not available]	3	1	0
Spondylitis, Ankylosing A chronic inflammatory condition affecting the axial joints, such as the SACROILIAC JOINT and other intervertebral or costovertebral joints. It occurs predominantly in young males and is characterized by pain and stiffness of joints (ANKYLOSIS) with inflammation at tendon insertions.	3	1	0
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	2.39	2	0
Infections, Prosthesis-Related [description not available]	2.1	1	0
Black Fever [description not available]	2.49	2	0
Leishmaniasis, Visceral A chronic disease caused by LEISHMANIA DONOVANI and transmitted by the bite of several sandflies of the genera Phlebotomus and Lutzomyia. It is commonly characterized by fever, chills, vomiting, anemia, hepatosplenomegaly, leukopenia, hypergammaglobulinemia, emaciation, and an earth-gray color of the skin. The disease is classified into three main types according to geographic distribution: Indian, Mediterranean (or infantile), and African.	2.49	2	0
Cerebral Ischemia [description not available]	7.77	3	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	2.77	3	0
Catarrh Inflammation of a mucous membrane with increased flow of mucous in humans or animals. Catarrh is used mostly in a historical context.	5.85	4	0
Exanthem [description not available]	4.47	3	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.	5.85	4	0
Exanthema Diseases in which skin eruptions or rashes are a prominent manifestation. Classically, six such diseases were described with similar rashes; they were numbered in the order in which they were reported. Only the fourth (Duke's disease), fifth (ERYTHEMA INFECTIOSUM), and sixth (EXANTHEMA SUBITUM) numeric designations survive as occasional synonyms in current terminology.	4.47	3	0
Encephalopathy, Toxic [description not available]	3.03	1	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	2.47	2	0
Brain Swelling [description not available]	2.11	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)	2.11	1	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	2.47	2	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	2.11	1	0
Colitis Gravis [description not available]	2.11	1	0
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	2.11	1	0
Besnoitiasis [description not available]	2.11	1	0
Injuries, Spinal Cord [description not available]	2.52	2	0
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	2.52	2	0
Leishmania Infection [description not available]	3.06	1	0
Leishmaniasis A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL).	3.06	1	0
Peripheral Nerve Neoplasms [description not available]	2.13	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)	2.13	1	0
Peripheral Nervous System Neoplasms Neoplasms which arise from peripheral nerve tissue. This includes NEUROFIBROMAS; SCHWANNOMAS; GRANULAR CELL TUMORS; and malignant peripheral NERVE SHEATH NEOPLASMS. (From DeVita Jr et al., Cancer: Principles and Practice of Oncology, 5th ed, pp1750-1)	2.13	1	0
Group A Strep Infection [description not available]	2.48	2	0
Streptococcal Infections Infections with bacteria of the genus STREPTOCOCCUS.	2.48	2	0
Clostridioides difficile Infection [description not available]	2.13	1	0
Clostridium Infections Infections with bacteria of the genus CLOSTRIDIUM and closely related CLOSTRIDIOIDES species.	2.13	1	0
Hepatocellular Carcinoma [description not available]	3.85	4	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.	3.85	4	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	3.43	2	0
Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES.	2.15	1	0
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	3.43	2	0
Leishmaniasis, American [description not available]	2.13	1	0
Leishmaniasis, Cutaneous An endemic disease that is characterized by the development of single or multiple localized lesions on exposed areas of skin that typically ulcerate. The disease has been divided into Old and New World forms. Old World leishmaniasis is separated into three distinct types according to epidemiology and clinical manifestations and is caused by species of the L. tropica and L. aethiopica complexes as well as by species of the L. major genus. New World leishmaniasis, also called American leishmaniasis, occurs in South and Central America and is caused by species of the L. mexicana or L. braziliensis complexes.	2.13	1	0
Hemorrhagic Shock [description not available]	2.48	2	0
Shock, Traumatic Shock produced as a result of trauma.	2.15	1	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)	2.74	3	0
Mouth Ulcer [description not available]	3.87	2	1
Adamantiades-Behcet Disease [description not available]	3.53	1	1
Female Genital Diseases [description not available]	3.53	1	1
Genital Diseases, Male Pathological processes involving the male reproductive tract (GENITALIA, MALE).	3.53	1	1
Behcet Syndrome Rare chronic inflammatory disease involving the small blood vessels. It is of unknown etiology and characterized by mucocutaneous ulceration in the mouth and genital region and uveitis with hypopyon. The neuro-ocular form may cause blindness and death. SYNOVITIS; THROMBOPHLEBITIS; gastrointestinal ulcerations; RETINAL VASCULITIS; and OPTIC ATROPHY may occur as well.	3.53	1	1
Genital Diseases, Female Pathological processes involving the female reproductive tract (GENITALIA, FEMALE).	3.53	1	1
Ulcer A lesion on the surface of the skin or a mucous surface, produced by the sloughing of inflammatory necrotic tissue.	3.53	1	1
Oral Ulcer A loss of mucous substance of the mouth showing local excavation of the surface, resulting from the sloughing of inflammatory necrotic tissue. It is the result of a variety of causes, e.g., denture irritation, aphthous stomatitis (STOMATITIS, APHTHOUS); NOMA; necrotizing gingivitis (GINGIVITIS, NECROTIZING ULCERATIVE); TOOTHBRUSHING; and various irritants. (From Jablonski, Dictionary of Dentistry, 1992, p842)	3.87	2	1
Deafness, Transitory [description not available]	2.15	1	0
Hearing Loss A general term for the complete or partial loss of the ability to hear from one or both ears.	2.15	1	0
Aphthae [description not available]	3.85	2	1
Stomatitis, Aphthous A recurrent disease of the oral mucosa of unknown etiology. It is characterized by small white ulcerative lesions, single or multiple, round or oval. Two to eight crops of lesions occur per year, lasting for 7 to 14 days and then heal without scarring. (From Jablonski's Dictionary of Dentistry, 1992, p742)	3.85	2	1
Femoral Fractures Fractures of the femur.	2.04	1	0
Candida Infection [description not available]	2.97	4	0
Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)	7.97	4	0
Myelopathy [description not available]	3.43	1	1
Human T-lymphotropic Virus 1 Infection [description not available]	3.43	1	1
Familial Spastic Paraparesis, Htlv-1-Associated [description not available]	3.43	1	1
Spinal Cord Diseases Pathologic conditions which feature SPINAL CORD damage or dysfunction, including disorders involving the meninges and perimeningeal spaces surrounding the spinal cord. Traumatic injuries, vascular diseases, infections, and inflammatory/autoimmune processes may affect the spinal cord.	3.43	1	1
HTLV-I Infections Diseases caused by HUMAN T-LYMPHOTROPIC VIRUS 1.	3.43	1	1
Paraparesis, Tropical Spastic A subacute paralytic myeloneuropathy occurring endemically in tropical areas such as the Caribbean, Colombia, India, and Africa, as well as in the southwestern region of Japan; associated with infection by HUMAN T-CELL LEUKEMIA VIRUS I. Clinical manifestations include a slowly progressive spastic weakness of the legs, increased reflexes, Babinski signs, incontinence, and loss of vibratory and position sensation. On pathologic examination inflammatory, demyelination, and necrotic lesions may be found in the spinal cord. (Adams et al., Principles of Neurology, 6th ed, p1239)	3.43	1	1
Bacterial Infections, Gram-Negative [description not available]	2.05	1	0
Gram-Negative Bacterial Infections Infections caused by bacteria that show up as pink (negative) when treated by the gram-staining method.	2.05	1	0
Extravascular Hemolysis [description not available]	2.75	3	0
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	2.75	3	0
Abnormalities, Autosome [description not available]	2.72	3	0
Diabetes Mellitus, Adult-Onset [description not available]	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
Adenocarcinoma, Basal Cell [description not available]	2.7	3	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	7.7	3	0
Protozoan Infections, Animal Infections with unicellular organisms formerly members of the subkingdom Protozoa. The infections may be experimental or veterinary.	2.47	2	0
Liver Dysfunction [description not available]	2.05	1	0
Liver Diseases Pathological processes of the LIVER.	2.05	1	0
Germinoblastoma [description not available]	2.05	1	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	7.05	1	0
Ascaridiasis Infection with nematodes of the genus ASCARIDIA. This condition usually occurs in fowl, often manifesting diarrhea.	3.45	1	1
Caries, Dental [description not available]	2.06	1	0
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.	2.06	1	0
Fibrosarcoma A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed)	2.06	1	0
Aggressive Periodontitis Inflammation and loss of PERIODONTIUM that is characterized by rapid attachment loss and bone destruction in the presence of little local factors such as DENTAL PLAQUE and DENTAL CALCULUS. This highly destructive form of periodontitis often occurs in young people and was called early-onset periodontitis, but this disease also appears in old people.	2.07	1	0
Actinobacillus Infections Infections with bacteria of the genus ACTINOBACILLUS.	2.07	1	0
Experimental Spinal Cord Ischemia [description not available]	2.07	1	0
Cardiac Diseases [description not available]	2.43	2	0
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	2.43	2	0
B-Cell Chronic Lymphocytic Leukemia [description not available]	2.45	2	0
Leukemia, Lymphocytic, Chronic, B-Cell A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.	2.45	2	0
Left Ventricular Hypertrophy [description not available]	2.07	1	0
Hypertrophy, Left Ventricular Enlargement of the LEFT VENTRICLE of the heart. This increase in ventricular mass is attributed to sustained abnormal pressure or volume loads and is a contributor to cardiovascular morbidity and mortality.	2.07	1	0
Bone Loss, Perimenopausal [description not available]	3.46	1	1
Osteoporosis, Postmenopausal Metabolic disorder associated with fractures of the femoral neck, vertebrae, and distal forearm. It occurs commonly in women within 15-20 years after menopause, and is caused by factors associated with menopause including estrogen deficiency.	3.46	1	1
Autoimmune Diabetes [description not available]	2.07	1	0
Diabetes Mellitus, Type 1 A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.	2.07	1	0
Di Guglielmo Disease [description not available]	2.01	1	0
Leukemia, Erythroblastic, Acute A myeloproliferative disorder characterized by neoplastic proliferation of erythroblastic and myeloblastic elements with atypical erythroblasts and myeloblasts in the peripheral blood.	2.01	1	0
Experimental Neoplasms [description not available]	2.64	3	0
Toxoplasmosis, Animal Acquired infection of non-human animals by organisms of the genus TOXOPLASMA.	2.01	1	0
Compensatory Hyperinsulinemia A GLUCOSE-induced HYPERINSULINEMIA, a marker of insulin-resistant state. It is a mechanism to compensate for reduced sensitivity to insulin.	2.41	2	0
Hyperinsulinism A syndrome with excessively high INSULIN levels in the BLOOD. It may cause HYPOGLYCEMIA. Etiology of hyperinsulinism varies, including hypersecretion of a beta cell tumor (INSULINOMA); autoantibodies against insulin (INSULIN ANTIBODIES); defective insulin receptor (INSULIN RESISTANCE); or overuse of exogenous insulin or HYPOGLYCEMIC AGENTS.	2.41	2	0
Infections, Respiratory Syncytial Virus [description not available]	1.99	1	0
Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported.	1.99	1	0
Carcinoma, Colloid [description not available]	2.02	1	0
Adenocarcinoma, Mucinous An adenocarcinoma producing mucin in significant amounts. (From Dorland, 27th ed)	2.02	1	0
Bladder Cancer [description not available]	2.43	2	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	2.43	2	0
Equine Diseases [description not available]	2.02	1	0
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	2.02	1	0
Hepatitis INFLAMMATION of the LIVER.	2.02	1	0
Carcinoma, Anaplastic [description not available]	2.02	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.	7.02	1	0
Experimental Hepatoma [description not available]	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
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.	4.17	6	0
Hypertrophy, Right Ventricular Enlargement of the RIGHT VENTRICLE of the heart. This increase in ventricular mass is often attributed to PULMONARY HYPERTENSION and is a contributor to cardiovascular morbidity and mortality.	2.03	1	0
Dermatomycoses Superficial infections of the skin or its appendages by any of various fungi.	2.94	1	0
Dermatophytoses [description not available]	2.94	1	0
Tinea Fungal infection of keratinized tissues such as hair, skin and nails. The main causative fungi include MICROSPORUM; TRICHOPHYTON; and EPIDERMOPHYTON.	2.94	1	0
Belching [description not available]	3.42	1	1
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	3.42	1	1
Contact Dermatitis [description not available]	1.96	1	0
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	1.96	1	0
Sarcoma 180 An experimental sarcoma of mice.	1.96	1	0
Brain Vascular Disorders [description not available]	2.9	1	0
Cerebrovascular Disorders A spectrum of pathological conditions of impaired blood flow in the brain. They can involve vessels (ARTERIES or VEINS) in the CEREBRUM, the CEREBELLUM, and the BRAIN STEM. Major categories include INTRACRANIAL ARTERIOVENOUS MALFORMATIONS; BRAIN ISCHEMIA; CEREBRAL HEMORRHAGE; and others.	2.9	1	0
Anterior Choroidal Artery Infarction [description not available]	3.37	1	1
Acute Disease Disease having a short and relatively severe course.	3.37	1	1
Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).	3.37	1	1
Pemphigus Foliaceus [description not available]	2.9	1	0
Pemphigus Group of chronic blistering diseases characterized histologically by ACANTHOLYSIS and blister formation within the EPIDERMIS.	2.9	1	0
Ocular Hypotension Abnormally low intraocular pressure often related to chronic inflammation (uveitis).	1.98	1	0
Intraocular Pressure The pressure of the fluids in the eye.	1.98	1	0
Entamoeba histolytica Infection [description not available]	1.99	1	0
Bovine Diseases [description not available]	3.38	1	1
Cryptosporidium Infection [description not available]	3.78	2	1
Cryptosporidiosis Intestinal infection with organisms of the genus CRYPTOSPORIDIUM. It occurs in both animals and humans. Symptoms include severe DIARRHEA.	8.78	2	1
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	3.79	2	1
Leucocythaemia [description not available]	1.99	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)	1.99	1	0
Infantile Diarrhea [description not available]	2	1	0
Diarrhea, Infantile DIARRHEA occurring in infants from newborn to 24-months old.	2	1	0
Chronic Illness [description not available]	3.39	1	1
Indigestion [description not available]	3.39	1	1
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	3.39	1	1
Dyspepsia Impaired digestion, especially after eating.	3.39	1	1
Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders.	4.35	2	2
Obstructive Lung Diseases [description not available]	2	1	0
Lung Diseases, Obstructive Any disorder marked by obstruction of conducting airways of the lung. AIRWAY OBSTRUCTION may be acute, chronic, intermittent, or persistent.	2	1	0
AIDS-Related Opportunistic Infections Opportunistic infections found in patients who test positive for human immunodeficiency virus (HIV). The most common include PNEUMOCYSTIS PNEUMONIA, Kaposi's sarcoma, cryptosporidiosis, herpes simplex, toxoplasmosis, cryptococcosis, and infections with Mycobacterium avium complex, Microsporidium, and Cytomegalovirus.	1.99	1	0
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	2	1	0
Animal Mammary Carcinoma [description not available]	2	1	0
Cancer of Endometrium [description not available]	2	1	0
Endometrial Neoplasms Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells.	2	1	0
Carcinoma, Epidermoid [description not available]	2.01	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)	2.01	1	0
Alcoholic Hepatitis [description not available]	1.99	1	0
Hepatitis, Alcoholic INFLAMMATION of the LIVER due to ALCOHOL ABUSE. It is characterized by NECROSIS of HEPATOCYTES, infiltration by NEUTROPHILS, and deposit of MALLORY BODIES. Depending on its severity, the inflammatory lesion may be reversible or progress to LIVER CIRRHOSIS.	1.99	1	0
Glycosuria The appearance of an abnormally large amount of GLUCOSE in the urine, such as more than 500 mg/day in adults. It can be due to HYPERGLYCEMIA or genetic defects in renal reabsorption (RENAL GLYCOSURIA).	1.95	1	0
Moniliasis, Oral [description not available]	3.36	1	1
Candidiasis, Oral Infection of the mucous membranes of the mouth by a fungus of the genus CANDIDA. (Dorland, 27th ed)	3.36	1	1
Dysentery, Shiga bacillus [description not available]	1.97	1	0
Dysentery, Bacillary DYSENTERY caused by gram-negative rod-shaped enteric bacteria (ENTEROBACTERIACEAE), most often by the genus SHIGELLA. Shigella dysentery, Shigellosis, is classified into subgroups according to syndrome severity and the infectious species. Group A: SHIGELLA DYSENTERIAE (severest); Group B: SHIGELLA FLEXNERI; Group C: SHIGELLA BOYDII; and Group D: SHIGELLA SONNEI (mildest).	1.97	1	0
Experimental Mammary Neoplasms [description not available]	1.97	1	0

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Synonyms (74)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (1)

Drug Classes (2)

Pathways (5)

Protein Targets (8)

Inhibition Measurements

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Biological Processes (76)

Molecular Functions (28)

Ceullar Components (26)

Bioassays (77)

Research

Studies (582)

Market Indicators

Research Demand Index: 45.96

Study Types

Clinical Trials (4)

Trial Overview

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