| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
glyceraldehyde
Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. | 2.01 | 1 | 0 | aldotriose | fundamental metabolite |
naphthalene
[no description available] | 2.07 | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
pyrazole
1H-pyrazole : The 1H-tautomer of pyrazole. | 2 | 1 | 0 | pyrazole | |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.07 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
menthol
Menthol: A monoterpene cyclohexanol produced from mint oils. | 2.41 | 2 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 2.01 | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
camphor, (+-)-isomer
[no description available] | 2.05 | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
eucalyptol
[no description available] | 2.47 | 2 | 0 | | |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.66 | 3 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
methyl salicylate
methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid. | 2.25 | 1 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. | 2.42 | 2 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
pilocarpine
Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine. | 2.15 | 1 | 0 | pilocarpine | antiglaucoma drug |
pentylenetetrazole
Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. | 2.15 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
cantharidin
Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.. cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A. | 7.6 | 1 | 0 | cyclic dicarboxylic anhydride;
monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide |
adenosine diphosphate
Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | 1.96 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | fundamental metabolite;
human metabolite |
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. | 3.93 | 4 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
camphene
camphene : A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. | 2.1 | 1 | 0 | carbobicyclic compound;
monoterpene | fragrance;
plant metabolite |
alpha-pinene
[no description available] | 8.54 | 8 | 0 | pinene | plant metabolite |
piperitone
piperitone: from Mentha longifolia var. chorodictya Rech F; structure in first source. piperitone : A p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6. | 2.69 | 2 | 0 | cyclic terpene ketone;
p-menthane monoterpenoid | plant metabolite;
volatile oil component |
carvone
carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. | 7.49 | 2 | 0 | botanical anti-fungal agent;
carvones | allergen |
gamma-terpinene
gamma-terpinene: RN given refers to gamma-terpinene; structure. gamma-terpinene : One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. | 2.1 | 1 | 0 | cyclohexadiene;
monoterpene | antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component |
4-cymene
4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4. | 2.1 | 1 | 0 | monoterpene;
toluenes | human urinary metabolite;
plant metabolite;
volatile oil component |
cyclohexanol
Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 2.47 | 2 | 0 | cyclohexanols;
secondary alcohol | solvent |
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1. | 2.02 | 1 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
citronellol
citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure. citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.. insect repellent : An insecticide that acts as a repellent to insects. | 1.98 | 1 | 0 | monoterpenoid | plant metabolite |
pregnenolone
[no description available] | 2.01 | 1 | 0 | 20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid | human metabolite;
mouse metabolite |
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). | 2.42 | 2 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
myrtenol
myrtenol: fragrance ingredient; structure in first source | 2.11 | 1 | 0 | | |
elemene
elemene: a sclerosing and antineoplastic agent isolated from Curcuma wenyujin & Rhizoma zedoariae; beta- and delta- elemene are also available | 2.17 | 1 | 0 | | |
hemimellitene
hemimellitene: structure. 1,2,3-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. | 2.07 | 1 | 0 | trimethylbenzene | neurotoxin;
plant metabolite |
beta-pinene
beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. | 2.48 | 2 | 0 | pinene | plant metabolite |
alpha-terpineol
terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. | 3.39 | 2 | 0 | terpineol | plant metabolite |
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. | 8.21 | 5 | 0 | cycloalkene;
p-menthadiene | human metabolite |
n-methylaspartate
N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration. | 2.08 | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.02 | 1 | 0 | cobalt group element atom | |
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. | 2.08 | 1 | 0 | | |
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | 2.6 | 1 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
verbenol
verbenol: RN given refers to cpd with unspecified isomeric designation; structure | 8.77 | 10 | 0 | monoterpenoid | |
myrtenal
myrtenal: RN refers to cpd without isomeric designation; structure given in first source | 2.06 | 1 | 0 | | |
salvin
salvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae) | 2.6 | 1 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
beta-thujone
[no description available] | 2.1 | 1 | 0 | beta-thujone | |
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol: fragrance ingredient; structure in first source. pinocarveol : A pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3. | 2.17 | 1 | 0 | carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol | GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component |
t-cadinol
T-cadinol: extract of scented myrrh; RN given refers to (1S-(1alpha,4alpha,4aalpha,8abeta)-isomer; RN for cpd without isomeric designation not avail 3/92; structure given in first source. tau-cadinol : A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. | 2.1 | 1 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | plant metabolite;
volatile oil component |
grandisol
grandisol: major component of the four synergistic cpds of male boll weevil pheromone | 2 | 1 | 0 | | |
brevicomin
brevicomin: RN given refers to (1R-exo)-isomer; structure | 2 | 1 | 0 | | |
cellulose triacetate
cellulose triacetate: for hemodialysis filtration | 2 | 1 | 0 | | |
bradykinin
[no description available] | 6.96 | 1 | 0 | oligopeptide | human blood serum metabolite;
vasodilator agent |
carnosol
carnosol: isolated from Lepechinia hastata | 2.6 | 1 | 0 | diterpenoid | |
pulegone
pulegone: component of peppermint oil; RN given refers to cpd without isomeric designation; structure in Merck. (+)-pulegone : The (5R)-enantiomer of p-menth-4(8)-en-3-one. | 1.98 | 1 | 0 | p-menth-4(8)-en-3-one | |
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. | 6.96 | 1 | 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 |
geranyl pyrophosphate
geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol. | 2.07 | 1 | 0 | polyprenyl diphosphate | Escherichia coli metabolite;
mouse metabolite |
spathulenol
spathulenol: sesquiterpene alcohol isolated from essential oils of Artemisia vulgaris L. & Artemisia dracunculus L.. spathulenol : A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. | 2.1 | 1 | 0 | | |
p-menth-2-en-1-ol
p-menth-2-en-1-ol: quercivorol is the (1S,4R)-isomer; an aggregation pheromone isolated from the ambrosia beetle, Platypus quercivorus; structure in first source | 2.17 | 1 | 0 | p-menthane monoterpenoid | |
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. | 1.98 | 1 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 2.07 | 1 | 0 | diphosphate ion | |
sesquiterpenes
[no description available] | 3.33 | 6 | 0 | | |
nadp
[no description available] | 2.01 | 1 | 0 | | |
alpha-farnesene
alpha-farnesene: structure given in first source. alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.. farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene. | 2.58 | 2 | 0 | alpha-farnesene | |
beta-farnesene
beta-farnesene: structure given in first source | 2.01 | 1 | 0 | beta-farnesene | |
caryophyllene
caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 2.44 | 2 | 0 | | |
germacrene d
germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7 | 2.5 | 2 | 0 | | |
bornyl acetate
[no description available] | 2.07 | 1 | 0 | acetate ester;
monoterpenoid | |
frontalin
[no description available] | 2 | 1 | 0 | | |
lineatin
lineatin: RN given refers to (1R-(1alpha,2beta,5alpha,7beta))-isomer; pheromone isolated from the frass of the female ambrosia beetle Trypodendron lineatum Olivier, which is a deleterious pest to coniferous forests in Europe and North America | 2 | 1 | 0 | | |
conophthorin
[no description available] | 2.52 | 2 | 0 | ketal | |
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 2 | 1 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2 | 1 | 0 | glycoside | |
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. | 2.25 | 1 | 0 | monohydroxybenzoate | plant metabolite |
pyrethrins
[no description available] | 2.6 | 1 | 0 | | |