beta-ocimene : The trans-stereoisomer of ocimene. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
(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). [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 5320250 |
| CHEBI ID | 87574 |
| CHEBI ID | 10436 |
| MeSH ID | M0410907 |
| Synonym |
|---|
| 3338-55-4 |
| .beta.-cis-ocimene |
| 1,3,6-octatriene, 3,7-dimethyl-, (z)- |
| beta-ocimene |
| (z)-beta-ocimene |
| cis-beta-ocimene |
| (3z)-3,7-dimethylocta-1,3,6-triene |
| LMPR0102010020 |
| (z)-3,7-dimethylocta-1,3,6,-triene |
| unii-472uvp4r7t |
| 472uvp4r7t , |
| 1,3,6-octatriene, 3,7-dimethyl-, (3z)- |
| beta-ocimene, (3z)- |
| einecs 222-081-3 |
| .beta.-(z)-ocimene |
| cis-.beta.-ocimene |
| (z)-3,7-dimethyl-1,3,6-octatriene |
| ocimene cis-.beta.-form |
| .beta.-ocimene, (3z)- |
| ocimene, cis-.beta.- |
| cis beta ocimene |
| DTXSID3052018 |
| beta-cis-ocimene |
| CHEBI:87574 |
| (z)-ocimene |
| .beta.-ocimene, (z)- |
| (z)-.beta.-ocimene |
| cis-3,7-dimethyl-1,3,6-octatriene |
| IHPKGUQCSIINRJ-NTMALXAHSA-N |
| (z)-3,7-dimethylocta-1,3,6-triene |
| (3z)-3,7-dimethyl-1,3,6-octatriene |
| cis-ocimene |
| W-109886 |
| chebi:10436 , |
| z-beta -ocimene |
| cis-beta -ocimene |
| 3,7-dimethyl-(3z)-1,3,6-octatriene |
| beta -(z)-ocimene |
| z-ocimene |
| beta -cis-ocimene |
| 3,7-dimethyl-(z)-1,3,6-octatriene |
| z-beta-ocimene |
| (3z)-beta-ocimene |
| Q26777005 |
| ocimene cis-beta-form |
| beta-(z)-ocimene |
| ocimene, cis-beta- |
| Role | Description |
|---|---|
| plant metabolite | Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| beta-ocimene | The trans-stereoisomer of ocimene. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Pathway | Proteins | Compounds |
|---|---|---|
| monoterpene biosynthesis | 19 | 13 |
| Myrcene biosynthesis | 0 | 13 |
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 15 (16.67) | 29.6817 |
| 2010's | 57 (63.33) | 24.3611 |
| 2020's | 18 (20.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (1.11%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 89 (98.89%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| benzaldehyde [no description available] | 2.61 | 2 | 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 |
| caprylic aldehyde caprylic aldehyde: structure in Merck Index, 9th ed, #1765. octanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). | 2.17 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant metabolite |
| 1-aminocyclopropane-1-carboxylic acid 1-aminocyclopropanecarboxylic acid : A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. | 2 | 1 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
| methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.47 | 2 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.48 | 2 | 0 | benzenetriol; phenolic donor | plant metabolite |
| eucalyptol [no description available] | 2.45 | 2 | 0 | ||
| 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. | 2.99 | 4 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
| myristicin myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin; | 2.48 | 2 | 0 | organic molecular entity | metabolite |
| deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. | 2.06 | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
| 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. | 2.03 | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
| n-hexanal [no description available] | 2.1 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary 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. | 4.22 | 16 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
| isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 2.1 | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
| 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. | 2.6 | 1 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
| alpha-pinene [no description available] | 3.98 | 12 | 0 | pinene | plant metabolite |
| thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene. | 2.11 | 1 | 0 | monoterpenoid; phenols | volatile oil component |
| bicyclohexanone bicyclohexanone: structure | 2.13 | 1 | 0 | ||
| alpha phellandrene alpha phellandrene: can be irritating to, & absorbed by the skin; ingestion can cause vomiting, diarrhea; RN given refers to cpd without isomeric designation; structure. alpha-phellandrene : One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). | 3.02 | 4 | 0 | cyclohexadiene; phellandrene | antimicrobial agent; plant metabolite; volatile oil component |
| 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. | 2.81 | 3 | 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. | 2.73 | 3 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
| 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. | 2.05 | 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. | 2.99 | 4 | 0 | cyclohexanols; secondary alcohol | solvent |
| pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 2.1 | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
| 2-heptanone heptan-2-one : A dialkyl ketone with methyl and pentyl as the alkyl groups. | 2.6 | 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. | 2.61 | 2 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
| heptanal heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. | 2.17 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | biomarker |
| decanaldehyde decanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). | 2.17 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antifungal agent; fragrance; plant metabolite |
| linalyl acetate linalyl acetate: structure in first source; RN refers to cpd without isomeric designation. linalyl acetate : A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.. 3,7-dimethylocta-1,6-dien-3-yl acetate : A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender. | 2.11 | 1 | 0 | acetate ester; monoterpenoid | |
| benzyl cyanide benzyl cyanide: reversible monoamine oxidase inhibitor | 2.06 | 1 | 0 | benzenes; nitrile | animal metabolite; pheromone |
| estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | 2.11 | 1 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 3.56 | 8 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| 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). | 2.78 | 3 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
| elemene elemene: a sclerosing and antineoplastic agent isolated from Curcuma wenyujin & Rhizoma zedoariae; beta- and delta- elemene are also available | 2.5 | 2 | 0 | ||
| 3-hexen-1-ol 3-hexen-1-ol: RN given refers to (Z)-isomer; a green odor chemical. hex-3-en-1-ol : A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. | 2.61 | 2 | 0 | alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound | plant metabolite |
| beta-phellandrene [no description available] | 2.1 | 1 | 0 | phellandrene | plant metabolite |
| terpinolene [no description available] | 2.03 | 1 | 0 | p-menthadiene | insect repellent; plant metabolite; sedative; volatile oil component |
| isovalerylaldehyde isovalerylaldehyde: structure in Merck Index, 9th ed, #5093. 3-methylbutanal : A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. | 2.11 | 1 | 0 | methylbutanal | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
| 2-nonanone 2-nonanone: RN given refers to cpd with locant for oxo moiety in position 2. nonanone : Any ketone that is nonane substituted by an oxo group at unspecified position.. nonan-2-one : A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. | 2.13 | 1 | 0 | methyl ketone | plant metabolite |
| fenchone, (+-)-isomer fenchone: RN given refers to cpd with unspecified isomeric designation. fenchone : A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare). | 2.07 | 1 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | 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. | 3.62 | 8 | 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. | 2.11 | 1 | 0 | terpineol | plant metabolite |
| sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. | 3.03 | 4 | 0 | thujene | 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. | 4.04 | 13 | 0 | cycloalkene; p-menthadiene | human metabolite |
| ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 2.06 | 1 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
| 3-carene 3-carene: RN given refers to cpd without isomeric designation | 2.48 | 2 | 0 | monoterpene | |
| 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. | 2.13 | 1 | 0 | ||
| 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. | 3.69 | 9 | 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. | 9.16 | 15 | 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. | 2.57 | 2 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
| alkenes [no description available] | 6.92 | 83 | 0 | ||
| 4,8-dimethyl-1,3,7-nonatriene 4,8-dimethyl-1,3,7-nonatriene: structure in first source | 2.98 | 4 | 0 | ||
| terpinyl acetate terpinyl acetate: ingredient in perfume of spray starch causing contact urticaria | 2.07 | 1 | 0 | p-menthane monoterpenoid | |
| hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.06 | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| aromadendrene aromadendrene: do not confuse with aromadendrin | 2.08 | 1 | 0 | sesquiterpenoid | |
| erythritol [no description available] | 2.45 | 2 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
| piperitenone piperitenone: structure given in first source | 2.03 | 1 | 0 | p-menthadien-3-one | |
| mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid. | 2.05 | 1 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
| 2-c-methylerythritol 4-phosphate 2-C-methylerythritol 4-phosphate: structure in first source | 2.45 | 2 | 0 | tetritol phosphate | Escherichia coli metabolite |
| betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.13 | 1 | 0 | cyclodextrin | |
| oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 2.17 | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| geranyl pyrophosphate geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol. | 2.05 | 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. | 2.52 | 2 | 0 | ||
| anethole anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer. anethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.. trans-anethole : The trans-stereoisomer of anethole. | 2.07 | 1 | 0 | anethole | flavouring agent |
| 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. | 2.05 | 1 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
| 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. | 2.1 | 1 | 0 | ionone | antioxidant; fragrance |
| pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 2.05 | 1 | 0 | diphosphate ion | |
| sesquiterpenes [no description available] | 4.53 | 22 | 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) | 2.06 | 1 | 0 | ||
| 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. | 3.45 | 7 | 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. | 2.07 | 1 | 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. | 3.35 | 6 | 0 | alpha-farnesene | |
| humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene. | 2.8 | 3 | 0 | alpha-humulene | |
| beta-farnesene beta-farnesene: structure given in first source | 2.48 | 2 | 0 | beta-farnesene | |
| nerolidol nerolidol: sesquiterpene; RN given refers to cpd without isomeric designation; nerol is also available. nerolidol : A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent.. (6Z)-nerolidol : A nerolidol in which the double bond at position 6 adopts a cis-configuration. | 2.07 | 1 | 0 | nerolidol | |
| alpha-ocimene [no description available] | 2.1 | 1 | 0 | ||
| caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 3.69 | 9 | 0 | ||
| 3-hexenylacetate 3-hexenylacetate: RN refers to (Z)-isomer | 3.15 | 5 | 0 | carboxylic ester | |
| alloocimene alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation. (4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). | 2.03 | 1 | 0 | ocimene | semiochemical |
| germacrene d germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7 | 3.02 | 4 | 0 | ||
| zerumbone zerumbone: RN given for (E,E,E)-isomer; structure in first source. zerumbone : A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia. | 2.17 | 1 | 0 | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
| cadinol cadinol: from callus cultures of Chamomilla recutita (Asteraceae) | 2.08 | 1 | 0 | ||
| beta-elemene beta-elemene: increases tumor cell immunogenicity by inducing, at least in part, elevated expression of heat shock protein 70 on tumor cell surface. beta-elemene : A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.. (-)-beta-elemene : The (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. | 2.78 | 3 | 0 | beta-elemene | antineoplastic agent |
| beta-bisabolene (S)-beta-bisabolene : A beta-bisabolene which has (1S)-configuration.. beta-bisabolene : A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4. | 2.07 | 1 | 0 | beta-bisabolene | |
| methyl jasmonate [no description available] | 2.47 | 2 | 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. | 2.99 | 4 | 0 | monohydroxybenzoate | plant metabolite |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Break-Bone Fever [description not available] | 0 | 2.17 | 1 | 0 |
| Infections, Plasmodium [description not available] | 0 | 3.03 | 4 | 0 |
| Rift Valley Fever An acute infection caused by the RIFT VALLEY FEVER VIRUS, an RNA arthropod-borne virus, affecting domestic animals and humans. In animals, symptoms include HEPATITIS; abortion (ABORTION, VETERINARY); and DEATH. In humans, symptoms range from those of a flu-like disease to hemorrhagic fever, ENCEPHALITIS, or BLINDNESS. | 0 | 2.17 | 1 | 0 |
| Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue. | 0 | 2.17 | 1 | 0 |
| Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia. | 0 | 3.03 | 4 | 0 |
| Cadaver A dead body, usually a human body. | 0 | 2.17 | 1 | 0 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 2.13 | 1 | 0 |
| B16 Melanoma [description not available] | 0 | 2.13 | 1 | 0 |
| Starvation Lengthy and continuous deprivation of food. (Stedman, 25th ed) | 0 | 2.13 | 1 | 0 |
| Yellow Fever An acute infectious disease primarily of the tropics, caused by a virus and transmitted to man by mosquitoes of the genera Aedes and Haemagogus. The severe form is characterized by fever, HEMOLYTIC JAUNDICE, and renal damage. | 0 | 2.06 | 1 | 0 |
| Acariasis [description not available] | 0 | 2.44 | 2 | 0 |