| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.6 | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 2.6 | 1 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
camphor, (+-)-isomer
[no description available] | 2.08 | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
eucalyptol
[no description available] | 3.01 | 4 | 0 | | |
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. | 2.49 | 2 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
alpha-pinene
[no description available] | 2.51 | 2 | 0 | pinene | plant 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. | 2.79 | 3 | 0 | cyclohexanols;
secondary alcohol | solvent |
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. | 2.1 | 1 | 0 | monoterpenoid | plant metabolite |
citronellyl acetate
citronellyl acetate: RN given refers to cpd without isomeric designation. citronellol acetate : A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. | 2.1 | 1 | 0 | acetate ester;
monoterpenoid | 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. | 2.15 | 1 | 0 | terpineol | plant metabolite |
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. | 2.6 | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
betulinic acid
[no description available] | 2.11 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
beta-thujone
[no description available] | 2.08 | 1 | 0 | beta-thujone | |
beta-eudesmol
beta-eudesmol: found in Atractylodes and other plants; RN given refers to (2R-(2alpha,4aalpha,8abeta))-isomer. beta-eudesmol : A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). | 2.1 | 1 | 0 | carbobicyclic compound;
eudesmane sesquiterpenoid;
tertiary alcohol | volatile oil component |
spathulenol
[no description available] | 2.1 | 1 | 0 | carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol | anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component |
alpha-eudesmol
alpha-eudesmol: RN refers to (2alpha,4aalpha,8abeta)-isomer; from Juniperus virginiana; inhibits omega-agatoxin IVA-sensitive Ca2+ currents and synaptosomal Ca2+ uptake; structure in first source. alpha-eudesmol : A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4. | 2.1 | 1 | 0 | eudesmane sesquiterpenoid;
octahydronaphthalenes;
tertiary alcohol | volatile oil component |
ledol
ledol: from Renealmia chrysotrycha; structure in first source | 7.53 | 2 | 0 | | |
himachalol
himachalol: structure | 2.15 | 1 | 0 | himachalane sesquiterpenoid | |
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 |
isopulegol
isopulegol: isolated from Mentha cardiaca structure in first source | 2.1 | 1 | 0 | p-menthane monoterpenoid | metabolite |
guaiol
guaiol: structure in first source | 2.06 | 1 | 0 | guaiane sesquiterpenoid | |
(+)-delta-cadinene
delta-cadinene: has antineoplastic activity; structure in first source. delta-cadinene : A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a).. (+)-delta-cadinene : A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer). | 2.1 | 1 | 0 | cadinene;
delta-cadinene | |
patchouli alcohol
patchouli alcohol: major component of the essential oil of patchouli; perfumery raw material. patchouli alcohol : A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer). | 2.49 | 2 | 0 | | |
1-alpha-terpineol
(S)-(-)-alpha-terpineol : The (S)-enantiomer of alpha-terpineol. | 2.1 | 1 | 0 | alpha-terpineol | plant metabolite |
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. | 2.1 | 1 | 0 | farnesol | plant metabolite |
seychellene
seychellene: from the essential oil of Indian valerian (Valeriana jatamansi); structure in first source | 2.06 | 1 | 0 | | |
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. | 7.1 | 1 | 0 | | |
geraniol
[no description available] | 2.1 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
glycosides
[no description available] | 2.11 | 1 | 0 | | |
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. | 2.1 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol | fragrance;
plant metabolite;
volatile oil component |
sesquiterpenes
[no description available] | 3.9 | 11 | 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 | | |
t-muurolol
T-muurolol: antifungal from Calocedrus formosana leaf; structure in first source. (-)-Tau-muurolol : A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration. | 2.07 | 1 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component |
farnesal
[no description available] | 2.1 | 1 | 0 | farnesal;
polyprenal | |
geranylgeraniol
(E,E,E)-geranylgeraniol : A geranylgeraniol in which all four double bonds have E- (trans-) geometry. | 2.1 | 1 | 0 | geranylgeraniol | |
caryophyllene
(-)-beta-caryophyllene : A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves.. beta-caryophyllene : A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil.. cannabinoid : A diverse group of pharmacologically active secondary metabolite characteristic to Cannabis plant as well as produced naturally in the body by humans and animals. Cannabinoids contain oxygen as a part of the heterocyclic ring or in the form of various functional groups. They are subdivided on the basis of their origin. | 2.1 | 1 | 0 | beta-caryophyllene | fragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug |
caryophyllene
caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 2.08 | 1 | 0 | | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.13 | 1 | 0 | | |
cadinol
cadinol: from callus cultures of Chamomilla recutita (Asteraceae) | 2.07 | 1 | 0 | | |
alpha-bulnesene
alpha-bulnesene: platelet-activating factor receptor antagonist from Pogostemon cablin; structure in first source | 2.06 | 1 | 0 | | |
alloaromadendrene
alloaromadendrene: isolated from the volatile oil of the soft corals Clavularia viridis and Sarcophyton acutangulum; structure in first source | 2.1 | 1 | 0 | | |
amorpha-4,11-diene
amorpha-4,11-diene: a precursor to the antimalarial drug artemisinin | 2.21 | 1 | 0 | octahydronaphthalenes;
sesquiterpene | |
caryolan-1-ol
caryolan-1-ol: structure in first source | 2.1 | 1 | 0 | | |