| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
coumarin
2H-chromen-2-one: coumarin derivative | 2.01 | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
hydroquinone
[no description available] | 2.08 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
benzocaine
Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. | 2.03 | 1 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
benzyl benzoate
benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide. benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. | 8.43 | 7 | 0 | benzoate ester;
benzyl ester | acaricide;
plant metabolite;
scabicide |
butylbenzyl phthalate
spatozoate: structure in first source | 1.98 | 1 | 0 | benzyl ester | |
camphor, (+-)-isomer
[no description available] | 1.94 | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
dibutyl phthalate
Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. | 2.38 | 2 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
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. | 2.8 | 3 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. | 2.1 | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae 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. | 2.11 | 1 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
butyl phthalyl butyl glycolate
[no description available] | 2.38 | 2 | 0 | benzoate ester | |
6-methylcoumarin
6-methylcoumarin: synthetic fragrance causing contact photoallergy. 6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. | 2.01 | 1 | 0 | coumarins | allergen;
fragrance |
methyleugenol
methyleugenol: structure | 2.31 | 1 | 0 | phenylpropanoid | |
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 2.1 | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
benzylparaben
[no description available] | 2.01 | 1 | 0 | benzoate ester;
benzyl ester | |
methylparaben
methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. | 2.1 | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
4-cymene
4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4. | 2.06 | 1 | 0 | monoterpene;
toluenes | human urinary metabolite;
plant metabolite;
volatile oil component |
phenyl salicylate
phenyl salicylate : A benzoate ester that is the phenyl ester of salicylic acid. Also known as salol, it can be formed by heating salicylic acid with phenol and is used in the manufacture of some polymers, lacquers, adhesives, waxes and polishes. | 2.51 | 2 | 0 | benzoate ester;
phenols;
salicylates | ultraviolet filter |
2,2',4,4'-tetrahydroxybenzophenone
[no description available] | 2.03 | 1 | 0 | | |
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. | 2.06 | 1 | 0 | monoterpenoid | plant metabolite |
flavanone
flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. | 2.01 | 1 | 0 | flavanones | |
4-chromone
4-chromone: structure given in first source. chromone : The simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4. | 2.01 | 1 | 0 | chromones;
enone | |
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). | 2.06 | 1 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
flavone
flavone: RN given refers to unlabeled cpd; structure given in first source. flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. | 2.01 | 1 | 0 | flavones | metabolite;
nematicide |
terpinolene
[no description available] | 2.31 | 1 | 0 | p-menthadiene | insect repellent;
plant metabolite;
sedative;
volatile oil component |
carvone, (s)-isomer
(+)-carvone : A carvone having (S) configuration. | 2.06 | 1 | 0 | carvone | |
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. | 2.11 | 1 | 0 | cycloalkene;
p-menthadiene | human metabolite |
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2.1 | 1 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
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. | 2.06 | 1 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
4-chromanone
[no description available] | 2.01 | 1 | 0 | chromones | |
acetyl methyl tetramethyl tetralin
acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source | 2.11 | 1 | 0 | tetralins | |
galaxolide
galaxolide: musk fragrance; structure given in first source. galaxolide : An organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics. | 2.11 | 1 | 0 | isochromenes;
organic heterotricyclic compound | fragrance |
irganox 3114
Irganox 3114: structure in first source | 2.1 | 1 | 0 | | |
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate
ethyl-3-(N-n-butyl-N-acetyl)aminopropionate: an insect repellent; structure in first source | 2.06 | 1 | 0 | acetamides;
ethyl ester;
tertiary carboxamide | |
lilial
[no description available] | 7.48 | 2 | 0 | | |
geraniol
[no description available] | 2.06 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
glycosides
[no description available] | 2.25 | 1 | 0 | | |
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. | 2.06 | 1 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
nerol
nerol : The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. | 2.06 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol | fragrance;
plant metabolite;
volatile oil component |
geranyl acetate
geranyl acetate: constituted about 90% of the palmarosa oil. geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol. | 2.06 | 1 | 0 | acetate ester;
monoterpenoid | plant metabolite |
benzyl cinnamate
benzyl cinnamate: structure in first source. benzyl cinnamate : The cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. | 7.76 | 3 | 0 | cinnamate ester | antigen;
epitope;
fixative;
flavouring agent;
fragrance |
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | 2.01 | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
musk
musk: pure essence from secretion of preputial follicles of Moschus moschiferus L. | 2.11 | 1 | 0 | macrolide | |
glycoprotein e2, hepatitis c virus
glycoprotein E2, Hepatitis C virus: RN refers to quasispecies 4E; amino acid sequence known; caution: HCV also stands for hog cholera virus | 2.04 | 1 | 0 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.31 | 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. | 10.87 | 29 | 0 | monohydroxybenzoate | plant metabolite |
4-hydroxycoumarin
2-hydroxychromone: structure | 2.01 | 1 | 0 | hydroxycoumarin | |