| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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. | 2.41 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
emodin
Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. | 2.07 | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
1-methyl-3-isobutylxanthine
1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively. | 2.04 | 1 | 0 | 3-isobutyl-1-methylxanthine | |
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives. | 2.01 | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
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. | 2.07 | 1 | 0 | butan-4-olide | metabolite;
neurotoxin |
4-fluorobenzoic acid
[no description available] | 2.41 | 1 | 0 | fluorobenzoic acid | bacterial xenobiotic metabolite |
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. | 2.01 | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
helenalin
helenalin: toxic principle of Helenium microcephalum (smallhead sneezeweed); structure. helenalin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer).. NF-kappaB inhibitor : An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. | 2.04 | 1 | 0 | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite |
propranolol hydrochloride
Inderex: combination of above cpds; used in treatment of hypertension | 1.98 | 1 | 0 | hydrochloride | |
verapamil hydrochloride
verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | 1.98 | 1 | 0 | | |
betulinic acid
[no description available] | 2.07 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
betulin
betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. | 2.07 | 1 | 0 | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite |
zaluzanin C
zaluzanin C: from Ainsliaea yunnanensis and Zaluzania robinsonii; structure in first source. zaluzanin C : A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8. | 2.01 | 1 | 0 | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
dehydrocostus lactone
dehydrocostus lactone : An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. | 2.74 | 3 | 0 | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone | antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug |
isoalantolactone
isoalantolactone: RN given refers to (3aR-(3aalpha,4aalpha,8abeta,9aalpha))-isomer; structure. isoalantolactone : A sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. | 2.41 | 2 | 0 | eudesmane sesquiterpenoid;
sesquiterpene lactone | antifungal agent;
apoptosis inducer;
plant metabolite |
elemol
elemol: monocyclic sespuiterpenoid tertiary alcohol; RN given refers to (1R-(1alpha,3alpha,4beta))-isomer; structure in first source. elemol : A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group. | 2.07 | 1 | 0 | olefinic compound;
sesquiterpenoid;
tertiary alcohol | fragrance;
plant metabolite |
parthenolide
[no description available] | 7.9 | 4 | 0 | germacranolide | |
cynaropicrin
cynaropicrin: structure given in first source; RN given for ((3aR-(3aalpha,4alpha,6aalpha,8beta,9aalpha,9bbeta)))-isomer | 1.99 | 1 | 0 | sesquiterpene lactone | |
mokko lactone
mokko lactone: isolated from mokko, Saussurea lappa; structure in first source | 2.07 | 1 | 0 | | |
santamarine
santamarine: sesquiterpene derivative of costunolide. santamarin : A sesquiterpene lactone of the eudesmanolide group. | 3.63 | 9 | 0 | sesquiterpene lactone | |
santonin
Santonin: Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.) | 2.41 | 2 | 0 | botanical anti-fungal agent;
santonin | plant metabolite |
tenulin
tenulin: toxic constituent of Helenium amarum (bitter sneezeweed); structure | 2.04 | 1 | 0 | sesquiterpene lactone | |
coronopilin
coronopilin: isolated from Ambrosia arborescens | 2.04 | 1 | 0 | sesquiterpene lactone | |
arbutin
hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 2.04 | 1 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
Canin
[no description available] | 2.41 | 2 | 0 | sesquiterpene lactone | |
grosheimin
grosheimin: from the aerial parts of V. decurens; structure | 2.04 | 1 | 0 | sesquiterpene lactone | |
parthenin
parthenin: sesqiterpene lactone from Parthenium hysterophorus; structure; RN given refers to 3aS-(3aalpha,6beta,6abeta,9abeta,9balpha)-isomer | 2.41 | 2 | 0 | sesquiterpene lactone | |
sesquiterpenes
[no description available] | 3.91 | 12 | 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. | 7.08 | 1 | 0 | thiocarboxamide | hepatotoxic agent |
strigol
strigol: a strigolactone from roots of various PLANTS; it stimulates seed germination of parasitic STRIGA and OROBANCHE; structure in first source. strigol : A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group. | 2.01 | 1 | 0 | indenofuran;
secondary alcohol;
strigolactone | |
costunolide
[no description available] | 2.01 | 1 | 0 | germacranolide;
heterobicyclic compound | anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite |
angiotensin amide
psilostachyin A: has antineoplastic, anti-inflammatory, leishmanicidal, and molluscicidal activities; isolated from Ambrosia psilostachya; structure in first source | 2.04 | 1 | 0 | | |
costunolide
[no description available] | 7.94 | 4 | 0 | | |
gentamicin sulfate
[no description available] | 2.01 | 1 | 0 | | |
alpha-synuclein
alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection. | 2.08 | 1 | 0 | | |
ilicic acid
ilicic acid: from Inula viscosa; structure in first source | 2.04 | 1 | 0 | eudesmane sesquiterpenoid | |
eudesmanolide
eudesmanolide: structure in first source | 2.04 | 1 | 0 | sesquiterpene lactone | |