| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3,3-dimethylallyl pyrophosphate
3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. | 2.52 | 2 | 0 | prenol phosphate | epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen |
indole
[no description available] | 2.13 | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | 2.05 | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
tryptamine
[no description available] | 2.05 | 1 | 0 | aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines | human metabolite;
mouse metabolite;
plant metabolite |
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 2.07 | 1 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
isoniazid
Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | 3.31 | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
netropsin
Netropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research. | 2.13 | 1 | 0 | | |
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 2.48 | 2 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
gliotoxin
Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. | 3.31 | 1 | 0 | dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole | antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor |
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 2.05 | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. | 2.15 | 1 | 0 | naphthol | genotoxin;
human xenobiotic metabolite |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.15 | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
palladium
Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 2.1 | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 2.11 | 1 | 0 | dihydrogen | |
hymexazol
hymexazol: a chemical used to sterilize soil; structure in first source. hymexazol : A member of the class of isoxazoles carrying hydroxy and methyl substituents at positions 3 and 5 respectively. It is used worldwide as a systemic soil and seed fungicide for the control of diseases caused by Fusarium, Aphanomyces, Pythium, and Corticium spp. in rice, sugarbeet, fodderbeet, vegetables, cucurbits, and ornamentals. | 2.07 | 1 | 0 | heteroaryl hydroxy compound;
isoxazoles | antifungal agrochemical |
carbendazim
carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. | 2.07 | 1 | 0 | benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent |
chloroprene
Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.1 | 1 | 0 | chloroolefin | |
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. | 2.11 | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
puupehenone
[no description available] | 3.31 | 1 | 0 | | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source | 2.11 | 1 | 0 | harmala alkaloid | |
24-methylenecholesterol
24-methylenecholesterol: RN given refers to (3beta)-isomer; structure. 24-methylenecholesterol : A 3beta-sterol having the structure of cholesterol with a methylene group at C-24. | 3.31 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol | mouse metabolite |
5-methyltryptophan
5-methyltryptophan: RN given refers to cpd without isomeric designation. 5-methyltryptophan : A tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring. | 2.05 | 1 | 0 | non-proteinogenic alpha-amino acid;
tryptophan derivative | |
6-fluorotryptophan
6-fluorotryptophan: an inhibitor of serotonin synthesis; RN given refers to parent cpd without isomeric designation | 2.05 | 1 | 0 | indolyl carboxylic acid | |
1-methyltryptophan
[no description available] | 2.05 | 1 | 0 | non-proteinogenic alpha-amino acid;
tryptophan derivative | antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
fumitremorgin b
fumitremorgin B: intermediary in TR-2 mycotoxin biosyn; RN given refers to (5aR-(5aalpha,6alpha,12beta,14aalpha))-isomer; structure given in first source. fumitremorgin B : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi via a tryptophan-proline diketopiperazine intermediate. | 3.23 | 1 | 0 | indole alkaloid;
organic heteropentacyclic compound | mycotoxin |
maculosin
maculosin: RN refers to (3S-trans)-isomer; isolated from Alternaria alternata; structure given in first source. maculosin : A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. | 2.52 | 2 | 0 | dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine | metabolite |
cyclo(prolylglycyl)
cyclo(prolylglycyl): RN given is for 17O-labeled cpd | 2.07 | 1 | 0 | | |
abrine
abrine: from seeds of Abrus precatorius; structure in first source. N(alpha)-methyl-L-tryptophan : A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. | 2.05 | 1 | 0 | L-tryptophan derivative;
N-methyl-L-alpha-amino acid zwitterion;
N-methyl-L-alpha-amino acid | Escherichia coli metabolite |
n-valyltryptophan
N-valyltryptophan: RN given refers to (L)-isomer | 2.11 | 1 | 0 | peptide | |
bromodeoxytopsentin
bromodeoxytopsentin: from sponge Topsentia pachastrelloides; structure in first source. bromodeoxytopsentin : An aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties. | 3.41 | 1 | 0 | aromatic ketone;
bromoindole;
imidazoles;
indole alkaloid | antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite |
tryptoquivaline
fumitremorgin C : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi. A potent and specific inhibitor of the breast cancer resistance protein multidrug transporter. | 3.6 | 2 | 0 | aromatic ether;
indole alkaloid;
organic heteropentacyclic compound | breast cancer resistance protein inhibitor;
mycotoxin |
5-hydroxytryptophan
hydroxytryptophan : A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.. 5-hydroxy-L-tryptophan : The L-enantiomer of 5-hydroxytryptophan. | 2.05 | 1 | 0 | 5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite;
plant metabolite |
cyclo(l-phe-l-pro)
[no description available] | 2.11 | 1 | 0 | organic molecular entity | metabolite |
deformylflustrabromine
deformylflustrabromine: has antineoplastic activity; isolated from Flustra folicea; structure in first source | 3.41 | 1 | 0 | tryptamines | |
sesquiterpenes
[no description available] | 2.13 | 1 | 0 | | |
helvolic acid
helvolic acid: structure. helvolic acid : A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. | 2.07 | 1 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
cyclo(l-leucyl-l-tryptophyl)
cyclo(L-leucyl-L-tryptophyl): structure in first source | 2.07 | 1 | 0 | | |
epinephrine
ircinal A: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source | 3.31 | 1 | 0 | | |
phaseic acid
phaseic acid: a plant hormone derived from abscisic acid; structure in first source | 2.13 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid | metabolite |
caulerpin
caulerpin: pigment from green algae, Caulerpa lamourouxii; structure | 3.31 | 1 | 0 | | |
sclerotiorin
sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | 3.31 | 1 | 0 | azaphilone | |
pseudopteroxazole
pseudopteroxazole: structure in first source | 3.31 | 1 | 0 | tetralins | metabolite |
manzamine a
manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92. manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). | 3.31 | 1 | 0 | alkaloid;
beta-carbolines;
isoquinolines | animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite |
cyclo(prolyl-valyl)
[no description available] | 2.11 | 1 | 0 | piperazinone | metabolite |
cyclo(glycyltryptophyl)
cyclo(glycyltryptophyl): structure in first source | 2.07 | 1 | 0 | indoles | metabolite |
phenylalanylproline
Phe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues. | 2.11 | 1 | 0 | dipeptide | metabolite |
cyclo(leucyl-prolyl)
cyclo(leucyl-prolyl): structure in first source. cyclo(L-Leu-L-Pro) : A homodetic cyclic peptide composed from leucyl and prolyl residues. | 2.11 | 1 | 0 | dipeptide;
homodetic cyclic peptide;
pyrrolopyrazine | bacterial metabolite;
marine metabolite |
prolylisoleucine
prolylisoleucine: RN refers to (L)-isomer. Pro-Ile : A dipeptide formed from L-proline and L-isoleucine residues. | 2.11 | 1 | 0 | dipeptide | metabolite |
(11S,14S)-Cyclo-(L-Trp-L-Phe)
[no description available] | 2.07 | 1 | 0 | indoles | Aspergillus metabolite |
jbp 485
JBP 485: has antihepatitis activity | 2.07 | 1 | 0 | | |
pseurotin
pseurotin: metabolite isolated from culture filtrates of Pseudeurotium ovalis Stolk; structure. pseurotin A : A spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively. | 2.07 | 1 | 0 | azaspiro compound;
lactam;
oxaspiro compound | metabolite |
toosendanin
[no description available] | 2.07 | 1 | 0 | limonoid | |
tryprostatin b
tryprostatin B: isolated from Aspergillus fumigatus; a mammalian cell cycle inhibitor; structure given in first source. tryprostatin B : A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a prenyl group. | 3.89 | 3 | 0 | dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | |
tryprostatin a
tryprostatin A: isolated from Aspergillus fumigatus; a mammalian cell cycle inhibitor; structure given in first source. tryprostatin A : A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively. | 3.6 | 2 | 0 | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor |
flustramine c
flustramine C: structure in first source | 3.41 | 1 | 0 | | |
fumiquinazoline f
fumiquinazoline F: structure in first source. fumiquinazoline F : A fumiquinazoline that consists of pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione bearing a methyl substituent at position 1 and an indol-3-yl group at position 4. | 3.64 | 2 | 0 | fumiquinazoline;
indoles;
pyrazinoquinazoline | |
terpendole e
terpendole E: structure in first source | 3.23 | 1 | 0 | organic heterotricyclic compound;
organooxygen compound | |
stephacidin a
stephacidin A: from Aspergillus ochraceus; structure in first source | 2.11 | 1 | 0 | | |
demethoxyfumitremorgin c
demethoxyfumitremorgin C: isolated from the fermentation broth of Aspergillus fumigatus; a mammalian cell cycle inhibitor; structure given in first source. demethoxyfumitremorgin C : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid, consisting of fumitremorgin C lacking the 9-methoxy substituent. | 3.23 | 1 | 0 | indole alkaloid;
organic heteropentacyclic compound | mycotoxin |
(S)-Isosclerone
[no description available] | 2.07 | 1 | 0 | tetralins | |
halicyclamine a
halicyclamine A: structure in first source | 3.31 | 1 | 0 | | |
fumiquinazoline a
fumiquinazoline A: structure in first source. fumiquinazoline A : A fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group. | 2.07 | 1 | 0 | fumiquinazoline;
imidazoindole;
pyrazinoquinazoline | |
1,4-dihydroxy-2-methoxy-7-methylanthraquinone
[no description available] | 3.31 | 1 | 0 | | |
verruculogen
verruculogen: complex 6-O-methylindole cpd containing 3 nitrogens; induces tremor; tremorigenic metabolite from Penicillium verruculosum isolated from moldy peanuts; decreases GABA levels in CNS; structure. verruculogen : An organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species. | 3.23 | 1 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker |
cyclo(L-tryptophyl-L-alanyl)
[no description available] | 2.07 | 1 | 0 | 2,5-diketopiperazines | |
aspergillazine a
aspergillazine A: structure in first source | 2.1 | 1 | 0 | | |
proximicin b
proximicin B: antineoplastic agent isolated from Verrucosispora; structure in first source | 3.66 | 2 | 0 | | |
6-methoxyspirotryprostatin b
6-methoxyspirotryprostatin B: cytotoxic compound from the marine-derived fungus Aspergillus sydowi; structure in first source. 6-methoxyspirotryprostatin B : An indole alkaloid isolated from a marine-derived fungal strain Aspergillus sydowii PFW1-13 and has been shown to exhibit cytotoxic activity. | 2.07 | 1 | 0 | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite |
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. | 2.11 | 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. | 2.13 | 1 | 0 | monohydroxybenzoate | plant metabolite |
sch 419560
Sch 419560: isolated from Pseudomonas fluorescens; structure in first source | 3.31 | 1 | 0 | | |
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) | 3.31 | 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 |
4-deoxybostrycin
4-deoxybostrycin: crystalline red pigment from culture filtrate of Alternaria eichhorniae with antibacterial & phytotoxic activity; structure given in first source | 3.31 | 1 | 0 | | |