| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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. | 2.15 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
histamine
[no description available] | 2.06 | 1 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
homogentisic acid
Homogentisic Acid: Dihydroxyphenylacetic acid with hydroxyls at the 2 and 5 positions of the phenyl ring.. homogentisic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions. | 2.08 | 1 | 0 | dihydroxyphenylacetic acid;
hydroquinones | human metabolite;
plant 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.. | 2.05 | 1 | 0 | diatomic iodine | nutrient |
beta-resorcylic acid
beta-resorcylic acid: RN given refers to parent cpd; structure | 2.61 | 2 | 0 | | |
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. | 2.17 | 1 | 0 | carboxamidine;
triazene derivative | antiparasitic agent;
trypanocidal drug |
diclofenac
Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. | 2.17 | 1 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. | 2.17 | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
oxophenylarsine
oxophenylarsine: inhibits protein-tyrosine-phosphatase. phenylarsine oxide : An arsine oxide derived from phenylarsine. | 2.17 | 1 | 0 | arsine oxides | antineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 7.38 | 2 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
usnic acid
[no description available] | 2.79 | 3 | 0 | benzofurans | |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.21 | 1 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
mannitol
[no description available] | 2.31 | 1 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.15 | 1 | 0 | butan-4-olide | metabolite;
neurotoxin |
orcinol
orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure. orcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl. | 8.22 | 5 | 0 | 5-alkylresorcinol;
dihydroxytoluene | Aspergillus metabolite |
evernic acid
evernic acid: RN given refers to parent cpd | 2.59 | 2 | 0 | carbonyl compound | |
6-methylsalicylic acid
6-methylsalicylic acid: structure. 6-methylsalicylic acid : A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group. | 7.46 | 2 | 0 | monohydroxybenzoic acid | Penicillium metabolite;
plant metabolite |
durapatite
Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH). | 2.41 | 1 | 0 | | |
tiletamine hydrochloride
Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 2.49 | 2 | 0 | | |
diltiazem
Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. | 2.17 | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
ursolic acid
[no description available] | 2.05 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
salicylhydroxamic acid
[no description available] | 2.17 | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
isocoumarins
Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. | 2.03 | 1 | 0 | isocoumarins | |
methyl orsellinate
methyl orsellinate: orcinol derivative from the lichen Peltigera leucophlebia (Peltigeraceae); structure in first source | 2.15 | 1 | 0 | hydroxybenzoic acid | metabolite |
coenzyme a
[no description available] | 2.05 | 1 | 0 | adenosine 3',5'-bisphosphate | coenzyme;
Escherichia coli metabolite;
mouse metabolite |
diffractaic acid
difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source | 2.13 | 1 | 0 | carbonyl compound | |
lecanoric acid
lecanoric acid: from a strain of Pyricularia (deuteromycetes); RN given refers to parent cpd; structure | 3.22 | 5 | 0 | benzoate ester | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. | 2.03 | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent |
averufanin
averufanin: precursor of aflatoxin B1; structure given in first source | 2.6 | 1 | 0 | | |
versiconol
(S)-versiconol : An optically active form of versiconol having S-configuration. | 2.15 | 1 | 0 | versiconol | |
barbatic acid
barbatic acid: structure in first source | 2.13 | 1 | 0 | carbonyl compound | |
threitol
threitol: RN given refers to (R*,R*)-isomer. D-threitol : The D-enantiomer of threitol. | 2.15 | 1 | 0 | threitol | human metabolite |
6-hydroxymellein
[no description available] | 2.03 | 1 | 0 | isochromanes | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.79 | 3 | 0 | | |
acarbose
[no description available] | 2.11 | 1 | 0 | amino cyclitol;
glycoside | |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.13 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
dactinomycin
Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015) | 2.05 | 1 | 0 | actinomycin | mutagen |
atranol
atranol: an oak moss allergen | 2.31 | 1 | 0 | hydroxybenzaldehyde | |
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) | 2.06 | 1 | 0 | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group |
sesquiterpenes
[no description available] | 3.93 | 3 | 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) | 2.04 | 1 | 0 | | |
sterigmatocystin
[no description available] | 2.48 | 2 | 0 | sterigmatocystins | metabolite |
ascofuranone
ascofuranone: structure. ascofuranone : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by the soil fungus, Acremonium sclerotigenum. It is a promising drug candidate against the tropical disease, African trypanosomiasis. | 3.78 | 2 | 0 | dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone | angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite |
fidaxomicin
Fidaxomicin: A narrow-spectrum macrolide antibacterial agent that is used in the treatment of diarrhea associated with CLOSTRIDIUM DIFFICILE INFECTION.. fidaxomicin : An 18-membered macrolide that is a fermentation product obtained from the Actinomycete Dactylosporangium aurantiacum. A narrow spectrum antibiotic used for treatment of Clostridium difficile-related infections. | 2.06 | 1 | 0 | | |
3-o-methylfunicone
3-O-methylfunicone: derived from Penicillium pinophilum; structure in first source | 2.11 | 1 | 0 | | |
ribose
ribopyranose : The pyranose form of ribose. | 7.6 | 1 | 0 | D-ribose;
ribopyranose | |
ascochlorin
ascochlorin: structure in first source. ascochlorin : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (1E,3E)-3-methyl-1-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-1,3-dien-5-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by several fungi including Ascochyta viciae . It exhibits anticancer, antifungal and antiprotozoal activities. | 3.7 | 1 | 0 | cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid | angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite |
violaceol II
violaceol II : An aromatic ether in which the ether functionality links a 2,3-dihydroxy-5-methylphenyl group with a 2,6-dihydroxy-4-methylphenyl group. Fungal metabolite isolated inter alia from Aspergillus spp. | 2.15 | 1 | 0 | aromatic ether;
catechols;
resorcinols | mycotoxin |
ubiquinone
Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 2.55 | 2 | 0 | | |
chitosan
[no description available] | 7.41 | 1 | 0 | | |
diorcinol
diorcinol : An aromatic ether that is diphenyl ether in which both phenyl groups are substituted at position 3 by a hydroxy group and at position 5 by a methyl group. | 2.15 | 1 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
mitorubrinic acid
[no description available] | 3.13 | 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 | 1 | 0 | organic cation;
sulfonium compound | coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
antroquinonol d
antroquinonol: isolated from Antrodia camphorata. antroquinonol : An enone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 4, methoxy groups at positions 2 and 3, a methyl group at position 6 and a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group at position 5 (the 4R,5R,6R stereoisomer). It is isolated from the solid-state fermented mycelium of the fungus Antrodia camphorata and has been found to exhibit potent cytotoxicity against a number of human cancer cell lines. However, a synthesis-enabled biological re-examination published in 2016, revealed minimal in vitro and in vivo antitumour activity in preclinical models. | 2.55 | 2 | 0 | enol ether;
enone;
secondary alcohol | antineoplastic agent;
fungal metabolite |
aureonitol
aureonitol: structure in first source | 7.31 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.15 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
4-hydroxy-6-methyl-2-pyrone
4-hydroxy-6-methyl-2-pyrone: structure in first source | 2.25 | 1 | 0 | 2-pyranones | |
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. | 3.34 | 6 | 0 | monohydroxybenzoate | plant metabolite |
4-acetylantroquinonol b
4-acetylantroquinonol B: an antineoplastic agent isolated from Antrodia connamomea; structure in first source | 7.15 | 1 | 0 | | |
chlorothricin
[no description available] | 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. | 2.15 | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |