| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 2.61 | 2 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
4-hydroxybenzaldehyde
[no description available] | 4 | 3 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
benzaldehyde
[no description available] | 4 | 3 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
4-nitrobenzaldehyde
4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. | 4 | 3 | 0 | benzaldehydes;
C-nitro compound | |
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. | 2.45 | 2 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
nickel
Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28. | 2.03 | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 2.05 | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
phenylacetaldehyde
[no description available] | 2.21 | 1 | 0 | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
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). | 2.21 | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
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. | 3.31 | 1 | 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 |
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | 1.96 | 1 | 0 | | |
guvacine
guvacine: RN given refers to parent cpd. guvacine : A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. | 2.21 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite |
miltefosine
miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. | 3.31 | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
nipecotic acid
nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | 2.21 | 1 | 0 | beta-amino acid;
piperidinemonocarboxylic acid | |
no 711
[no description available] | 2.61 | 2 | 0 | diarylmethane | |
2-naphthaldehyde
2-naphthaldehyde: structure. 2-naphthaldehyde : A naphthaldehyde that is naphthalene substituted by a formyl group at position 2. | 2.73 | 3 | 0 | naphthaldehyde | mouse metabolite |
1,8-naphthalenedicarboxylic acid anhydride
1,8-naphthalenedicarboxylic acid anhydride: used as seed protector from herbicides | 2.15 | 1 | 0 | cyclic dicarboxylic anhydride | |
2-chlorobenzaldehyde
[no description available] | 2.21 | 1 | 0 | | |
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source | 2.54 | 2 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
3,5-dibromosalicylaldehyde
3,5-dibromosalicylaldehyde: structure in Merck Index, 9th ed, #2995 | 2.1 | 1 | 0 | | |
hydratropic aldehyde
2-phenylpropanal : A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3. | 2.21 | 1 | 0 | phenylacetaldehydes | |
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. | 2.21 | 1 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
thiophene-2-carboxaldehyde
thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2. | 2.21 | 1 | 0 | aldehyde;
thiophenes | metabolite |
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 3.31 | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
3-nitrobenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
4-bromoacetophenone
[no description available] | 3.31 | 1 | 0 | | |
4-chloroacetophenone
[no description available] | 3.31 | 1 | 0 | | |
4-(dimethylamino)benzaldehyde
p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. | 2.21 | 1 | 0 | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound |
phenylisothiocyanate
phenylisothiocyanate: structure. phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. | 3.31 | 1 | 0 | isothiocyanate | allergen;
reagent |
4-methylbenzaldehyde
p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position. | 3.71 | 2 | 0 | tolualdehyde | plant metabolite |
4-chlorobenzaldehyde
[no description available] | 3.71 | 2 | 0 | | |
piperonal
piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | 2.21 | 1 | 0 | arenecarbaldehyde;
benzodioxoles | fragrance;
insect repellent;
plant metabolite |
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | 2.21 | 1 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
2-Methoxybenzaldehyde
[no description available] | 2.61 | 2 | 0 | carbonyl compound | |
chrysene
chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar. | 2.15 | 1 | 0 | ortho-fused polycyclic arene | plant metabolite |
3-pyridinaldehyde
pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3. | 2.61 | 2 | 0 | pyridinecarbaldehyde | |
2-methylbenzaldehyde
2-methylbenzaldehyde: structure in first source. o-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 2-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
2-nitrobenzaldehyde
2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. | 2.61 | 2 | 0 | benzaldehydes;
C-nitro compound | |
3-aminophenol
3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group. | 7.41 | 1 | 0 | aminophenol | |
3-methoxybenzaldehyde
3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. | 2.21 | 1 | 0 | benzaldehydes;
monomethoxybenzene | Brassica napus metabolite |
3-methylbenzaldehyde
3-methylbenzaldehyde: structure in first source. m-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 3-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
2-hydroxy-1-naphthaldehyde
2-hydroxynaphthaldehyde: structure in first source. 2-hydroxy-1-naphthaldehyde : A member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). | 2.1 | 1 | 0 | naphthaldehydes;
naphthols | |
2-amino-5-chlorobenzophenone
2-amino-5-chlorbenzophenone: structure given in first source | 3.31 | 1 | 0 | | |
diphenylacetaldehyde
diphenylacetaldehyde: structure in first source | 2.61 | 2 | 0 | | |
pyrrole-2-carboxaldehyde
2-pyrrolecarboxaldehyde: structure in first source. pyrrole-2-carboxaldehyde : A pyrrole carrying a formyl substituent at the 2-position. | 2.21 | 1 | 0 | 1,3-thiazole-2-carbaldehyde;
pyrroles | |
pyridine-2-carboxaldehyde
pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. | 4 | 3 | 0 | pyridinecarbaldehyde | |
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2.05 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 4 | 3 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
3-phenoxybenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
tiagabine
Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. | 2.61 | 2 | 0 | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor |
4-cyanobenzaldehyde
[no description available] | 2.21 | 1 | 0 | benzaldehydes | |
4-(trifluoromethyl)benzaldehyde
[no description available] | 3.71 | 2 | 0 | benzaldehydes | |
4-fluorobenzaldehyde
[no description available] | 3.71 | 2 | 0 | | |
9-anthraldehyde
[no description available] | 2.61 | 2 | 0 | | |
gentamicin c1
[no description available] | 3.31 | 1 | 0 | | |
quinoline-4-carbaldehyde
[no description available] | 2.61 | 2 | 0 | | |
2-quinolinecarboxaldehyde
2-quinolinecarboxaldehyde: structure in first source | 2.61 | 2 | 0 | | |
2-bromobenzaldehyde
2-bromobenzaldehyde: structure in first source | 3.71 | 2 | 0 | | |
4-methoxy-1-naphthalaldehyde
4-methoxy-1-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source | 2.61 | 2 | 0 | | |
n-(4,4-diphenyl-3-butenyl)nipecotic acid
N-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first source | 2.21 | 1 | 0 | diarylmethane | |
cobalt
Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.03 | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
proline
Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | 2.1 | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid | algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
lilial
[no description available] | 2.21 | 1 | 0 | | |
2-benzyloxybenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
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. | 2.21 | 1 | 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 |
nipecotic acid
(R)-nipecotic acid : The (R)-enantiopmer of nipecotic acid. | 2.21 | 1 | 0 | amino acid zwitterion;
nipecotic acid | |
D-fructopyranose
[no description available] | 1.96 | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
quinine
[no description available] | 3.31 | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
beta-proline
beta-proline: RN given refers to cpd without isomeric designation; structure given in first source | 2.21 | 1 | 0 | | |
nipecotic acid, (s)-isomer
(S)-nipecotic acid : The (S)-enantiomer of nipecotic acid. | 2.21 | 1 | 0 | nipecotic acid | |
gambogic acid
gambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomer | 3.31 | 1 | 0 | pyranoxanthones | metabolite |
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. | 3.31 | 1 | 0 | nystatins | |
4-hydroxycoumarin
2-hydroxychromone: structure | 3.31 | 1 | 0 | hydroxycoumarin | |
stf 083010
STF 083010: inhibits Ire1 endonuclease; structure in first source | 2.1 | 1 | 0 | | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 2.05 | 1 | 0 | | |