| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 2.08 | 1 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
benzaldehyde
[no description available] | 2.08 | 1 | 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 |
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. | 2.74 | 3 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
citric acid, anhydrous
Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. | 2.11 | 1 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
4-vinylguaiacol
2-methoxy-4-vinylphenol: a germination inhibitor; also an odorant in green tea; structure in first source. 2-methoxy-4-vinylphenol : A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. | 2.13 | 1 | 0 | phenols | flavouring agent;
pheromone;
plant metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.25 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 2.13 | 1 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
phenylacetaldehyde
[no description available] | 2.08 | 1 | 0 | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 1.97 | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
succinic acid
Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. | 2.02 | 1 | 0 | alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid | anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent |
eucalyptol
[no description available] | 2.01 | 1 | 0 | | |
diazepam
Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. | 2.03 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
hexobarbital
Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. | 2.02 | 1 | 0 | barbiturates | |
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. | 3.68 | 9 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
1-(3-trifluoromethylphenyl)piperazine
1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure. 1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. | 2.03 | 1 | 0 | (trifluoromethyl)benzenes;
N-arylpiperazine | environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic |
fenclonine
Fenclonine: A selective and irreversible inhibitor of tryptophan hydroxylase, a rate-limiting enzyme in the biosynthesis of serotonin (5-HYDROXYTRYPTAMINE). Fenclonine acts pharmacologically to deplete endogenous levels of serotonin. | 2.13 | 1 | 0 | phenylalanine derivative | |
pyrimethamine
Maloprim: contains above 2 cpds | 2.02 | 1 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
corticosterone
[no description available] | 2.46 | 2 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
phenylethyl alcohol
Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2.75 | 3 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
n-hexanal
[no description available] | 2.52 | 2 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | human urinary metabolite |
n-pentanol
n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | 2.74 | 3 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 7.75 | 3 | 0 | alkene;
gas molecular entity | plant hormone;
refrigerant |
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. | 3.76 | 10 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
alpha-pinene
[no description available] | 2.6 | 1 | 0 | pinene | plant metabolite |
methyl benzoate
methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol. | 2.04 | 1 | 0 | benzoate ester;
methyl ester | insect attractant;
metabolite |
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 2.01 | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
citronellal
citronellal: aldehyde of citronellol; found in citronella oil. citronellal : A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. | 2.01 | 1 | 0 | aldehyde;
monoterpenoid | antifungal agent;
metabolite |
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. | 2.01 | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
2-heptanone
heptan-2-one : A dialkyl ketone with methyl and pentyl as the alkyl groups. | 2.01 | 1 | 0 | dialkyl ketone;
methyl ketone | mouse metabolite;
pheromone |
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. | 5.69 | 74 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
heptanol
Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. | 2.11 | 1 | 0 | heptanol;
primary alcohol | flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite |
dodecanol
Dodecanol: A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). dodecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms.. dodecan-1-ol : A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. | 2.02 | 1 | 0 | dodecanol;
primary alcohol | bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite |
3-hydroxy-3-methylbutene
3-hydroxy-3-methylbutene: narcotic, sleep-producing principle from hops; RN given refers to parent cpd. 3-hydroxy-3-methylbut-1-ene : A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. | 2.45 | 2 | 0 | olefinic compound;
tertiary alcohol | animal metabolite;
fragrance;
pheromone;
plant metabolite |
benzyl acetate
benzyl acetate : The acetate ester of benzyl alcohol. | 2.01 | 1 | 0 | acetate ester;
benzyl ester | metabolite |
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 3.18 | 5 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
thiazoles
[no description available] | 2.75 | 3 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
myrtenol
myrtenol: fragrance ingredient; structure in first source | 2.05 | 1 | 0 | | |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol: structure in first source. 4-terpineol : A terpineol that is 1-menthene carrying a hydroxy substituent at position 4. | 2.05 | 1 | 0 | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component |
1-penten-3-ol
[no description available] | 7.05 | 1 | 0 | alcohol | |
2-hexanol
hexan-2-ol : A hexanol in which the hydroxy group is at position 2. | 2.31 | 1 | 0 | hexanol;
secondary alcohol | human metabolite;
plant metabolite;
semiochemical |
1-pentene-3-one
1-penten-3-one : An enone that is pent-1-ene substituted by an oxo group at position 3. | 2.05 | 1 | 0 | enone | flavouring agent;
genotoxin;
human metabolite;
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. | 2.46 | 2 | 0 | terpineol | plant metabolite |
1-octen-3-ol
1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi. | 2.46 | 2 | 0 | alkenyl alcohol;
medium-chain fatty alcohol | antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 3.93 | 12 | 0 | benzenes;
phenyl acetates | |
myrcene
myrcene: structure in first source. beta-myrcene : A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. | 2.17 | 1 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
nonanal
nonanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. | 2.05 | 1 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | human metabolite;
plant metabolite |
alkenes
[no description available] | 2.49 | 2 | 0 | | |
paroxetine
Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. | 2.13 | 1 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
4-methyl-1-phenylpentan-2-ol
[no description available] | 2.02 | 1 | 0 | benzenes | |
glucose, (beta-d)-isomer
beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 2.05 | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
nitrosonium ion
nitrosonium ion: a nitric oxide congener. oxidonitrogen(1+) : A monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide. | 2.07 | 1 | 0 | monovalent inorganic cation;
nitrogen oxide | |
alpha-bergamotene
alpha-bergamotene: RR (13434-59-4) refers to the (trans)-isomer. alpha-bergamotene : A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. | 2 | 1 | 0 | bridged compound;
polycyclic olefin;
sesquiterpene | plant metabolite;
volatile oil component |
4,8-dimethyl-1,3,7-nonatriene
4,8-dimethyl-1,3,7-nonatriene: structure in first source | 2.07 | 1 | 0 | | |
hydronium ion
[no description available] | 2.07 | 1 | 0 | onium cation;
oxygen hydride | |
phytol
[no description available] | 2.02 | 1 | 0 | | |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 8.16 | 5 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
singlet oxygen
Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages. | 2.11 | 1 | 0 | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient |
4,8,12-trimethyl-1,3,7,11-tridecatetraene
4,8,12-trimethyl-1,3,7,11-tridecatetraene: released by lima bean plants upon predation by T. urticae | 2.07 | 1 | 0 | | |
farnesol
Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. | 2.44 | 2 | 0 | farnesol | plant metabolite |
geraniol
[no description available] | 2.17 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
glycosides
[no description available] | 2.53 | 2 | 0 | | |
beta-ionone
beta-ionone: stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A; RN given refers to cpd without isomeric designation; structure. beta-ionone : An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. | 2.01 | 1 | 0 | ionone | antioxidant;
fragrance |
3-hexenal
3-hexenal: induced by the Gastrophysa polygoni herbivory on Rumex confertus. 3-hexenal : A hexenal carrying an unsaturation at position 3. | 2.15 | 1 | 0 | | |
sesquiterpenes
[no description available] | 3.45 | 7 | 0 | | |
8,10-dodecadien-1-ol
8,10-dodecadien-1-ol: isomer of coddling moth sex attractant; RN given refers to (E,E)-isomer, which is codlemone | 2.02 | 1 | 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) | 2.13 | 1 | 0 | | |
6-ketoprostaglandin f1 alpha
6-Ketoprostaglandin F1 alpha: The physiologically active and stable hydrolysis product of EPOPROSTENOL. Found in nearly all mammalian tissue.. 6-oxoprostaglandin F1alpha : A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position. | 1.98 | 1 | 0 | prostaglandins Falpha | human metabolite;
mouse metabolite |
jasmonic acid
jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. | 2.53 | 2 | 0 | oxo monocarboxylic acid | jasmonates;
plant metabolite |
2-hexenal, z-isomer
2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. | 4.01 | 13 | 0 | 2-hexenal | antibacterial agent;
flavouring agent;
plant metabolite |
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. | 2.03 | 1 | 0 | alpha-farnesene | |
beta-farnesene
beta-farnesene: structure given in first source | 2.11 | 1 | 0 | beta-farnesene | |
beta-ocimene
beta-ocimene : The trans-stereoisomer of ocimene.. (Z)-beta-ocimene : A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer). | 2.61 | 2 | 0 | beta-ocimene | plant metabolite |
caryophyllene
caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 2.05 | 1 | 0 | | |
3-hexenylacetate
3-hexenylacetate: RN refers to (Z)-isomer | 3.58 | 8 | 0 | carboxylic ester | |
cis-3-hexenyl acetate
(Z)-3-hexen-1-yl acetate: induced by the Gastrophysa polygoni herbivory on Rumex confertus. (3Z)-hex-3-en-1-yl acetate : An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. | 2.08 | 1 | 0 | acetate ester;
olefinic compound | metabolite |
13-hydroperoxylinolenic acid
13-hydroperoxylinolenic acid: RN given refers to (Z,Z,Z)-isomer; RN for cpd without isomeric designation not avail 7/91 | 2.02 | 1 | 0 | | |
methyl jasmonate
[no description available] | 2.76 | 3 | 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. | 3.68 | 9 | 0 | monohydroxybenzoate | plant metabolite |