| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.15 | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2.15 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
masoprocol
nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | 2.15 | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
protocatechualdehyde
protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure | 2.15 | 1 | 0 | dihydroxybenzaldehyde | |
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. | 2.15 | 1 | 0 | flavanones | |
hexacosanoic acid
hexacosanoic acid: a C(26) saturated acid. hexacosanoic acid : A 26-carbon, straight-chain, saturated fatty acid. | 2.15 | 1 | 0 | fatty acid 26:0;
straight-chain saturated fatty acid;
very long-chain fatty acid | |
oleanolic acid
[no description available] | 2.15 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
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. | 2.15 | 1 | 0 | flavones | metabolite;
nematicide |
2,4,5-trimethoxybenzaldehyde
asaronaldehyde: from Piper clusii (Piperaceae); structure in first source | 2.15 | 1 | 0 | carbonyl compound | |
acarbose
[no description available] | 2.54 | 2 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
gemcitabine
gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | 2.15 | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
ursolic acid
[no description available] | 2.57 | 2 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 2.15 | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
hesperetin
[no description available] | 2.15 | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
matairesinol
matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). | 2.15 | 1 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
omega-n-methylarginine
omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent. | 2.13 | 1 | 0 | amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid | |
oleanolic acid 3-acetate
oleanolic acid 3-acetate: from Gardenia jasminoides; RN given for (3beta)-isomer | 2.15 | 1 | 0 | | |
3-hydroxystigmast-5-en-7-one
[no description available] | 2.15 | 1 | 0 | steroid | |
4'-hydroxyflavanone
4'-hydroxyflavanone: structure in first source. 4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'. | 2.15 | 1 | 0 | 4'-hydroxyflavanones;
monohydroxyflavanone | |
2'-hydroxyflavanone
[no description available] | 2.15 | 1 | 0 | | |
sorafenib
[no description available] | 2.15 | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
5-hydroxymethylfurfural
5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 2.15 | 1 | 0 | arenecarbaldehyde;
furans;
primary alcohol | indicator;
Maillard reaction product |
lupeol
[no description available] | 2.15 | 1 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
lariciresinol
lariciresinol: found in human urine. (+)-lariciresinol : A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). | 2.17 | 1 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin. | 2.15 | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
syringaresinol
(+)-syringaresinol : The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol. | 2.15 | 1 | 0 | syringaresinol | antineoplastic agent |
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2.15 | 1 | 0 | cinnamic acid | plant metabolite |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.15 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
2-hydroxycinnamic acid
trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.. 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. | 2.15 | 1 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. | 2.15 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
epipinoresinol
epipinoresinol : An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. | 2.15 | 1 | 0 | pinoresinol | marine metabolite;
plant metabolite |
isoliquiritigenin
[no description available] | 2.84 | 3 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
amygdalin
(R)-amygdalin : An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. | 2.13 | 1 | 0 | amygdalin | antineoplastic agent;
apoptosis inducer;
plant metabolite |
3,3',4,5'-tetrahydroxystilbene
3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer. piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. | 2.15 | 1 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 2.15 | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
6-hydroxyflavanone
6-hydroxyflavanone : A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. | 2.15 | 1 | 0 | monohydroxyflavanone | fungal xenobiotic metabolite |
phillygenin
phillygenin: cytoprotective lignan from Forsythia suspensa; structure in first source | 2.15 | 1 | 0 | | |
quercetin
[no description available] | 2.15 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
coniferin
coniferin : A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. | 2.55 | 2 | 0 | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite |
biochanin a
[no description available] | 2.15 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
formononetin
[no description available] | 2.15 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | phytoestrogen;
plant metabolite |
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.15 | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
7,3'-dihydroxy-4'-methoxyisoflavone
7,3'-dihydroxy-4'-methoxyisoflavone: isolated from Astragali radix; structure in first source. calycosin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position. | 2.15 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antioxidant;
metabolite |
kaempferol
[no description available] | 2.15 | 1 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
genistein
[no description available] | 2.15 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
butein
[no description available] | 2.15 | 1 | 0 | chalcones;
polyphenol | antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor |
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.15 | 1 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
fisetin
[no description available] | 2.15 | 1 | 0 | 3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite |
daidzein
[no description available] | 2.15 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
forsythiaside
forsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao) | 2.15 | 1 | 0 | hydroxycinnamic acid | |
rosmarinic acid
rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. | 2.15 | 1 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
4'-methoxy-3',5,7-trihydroxyisoflavone
4'-methoxy-3',5,7-trihydroxyisoflavone: structure in first source. pratensein : A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 5, 7, and 3' positions, and by a methoxy group at the 4' position. | 2.15 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | |
7-hydroxyflavone
7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | 2.15 | 1 | 0 | hydroxyflavonoid | |
2'-hydroxygenistein
2'-hydroxygenistein : A hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2'. It has been isolated from Crotalaria lachnophora. | 2.15 | 1 | 0 | hydroxyisoflavone | plant metabolite |
3',4',7-trihydroxyisoflavone
3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source. 3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. | 2.15 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite |
octadecyl caffeate
caffeic acid n-octadecyl ester: isolated from Daphne acutiloba Rehd; structure in first source | 2.15 | 1 | 0 | | |
jaceosidin
jaceosidin : A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. | 2.15 | 1 | 0 | dimethoxyflavone;
trihydroxyflavone | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
thonningianin a
thonningianin A: an ellagitannin from the African medicinal herb Thonningia sanguinea; structure in first source | 2.17 | 1 | 0 | tannin | metabolite |
syringaresinol, (1r-(1alpha, 3aalpha,4alpha,6aalpha))-isomer
(-)-syringaresinol : The (7beta,7'beta,8beta,8'beta)-stereoisomer of syringaresinol. | 2.54 | 2 | 0 | syringaresinol | |
(-)-pinoresinol
(-)-pinoresinol : An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration. | 2.13 | 1 | 0 | pinoresinol | plant metabolite |
odoratin
odoratin: structure; RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | | |
glochidioboside
glochidioboside: from medicinal plant Sambucus williamsii | 2.15 | 1 | 0 | | |
minocycline
Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. | 2.15 | 1 | 0 | | |
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.85 | 3 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
inositol
Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 2.15 | 1 | 0 | cyclitol;
hexol | |
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. | 3.14 | 5 | 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 |
phenol
[no description available] | 2.15 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.76 | 3 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
homovanillic acid
Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. | 3 | 1 | 0 | guaiacols;
monocarboxylic acid | human metabolite;
mouse 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. | 2.07 | 1 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 2.41 | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 2.13 | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
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. | 4.38 | 7 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae 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. | 7.21 | 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 |
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 2.17 | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
2-methylanthraquinone
2-methylanthraquinone: form Morinda officinalis How.. 2-methylanthraquinone : An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. | 2.07 | 1 | 0 | anthraquinone | |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 3.34 | 6 | 0 | butan-4-olide | metabolite;
neurotoxin |
acrolein
[no description available] | 2.99 | 4 | 0 | enal | herbicide;
human xenobiotic metabolite;
toxin |
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 2.17 | 1 | 0 | alkane | |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.11 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
n-hexane
hexane : An unbranched alkane containing six carbon atoms. | 2.17 | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
piperidine
[no description available] | 2.17 | 1 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
maltol
maltol: found in bark of young larch trees; isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity; structure | 2.17 | 1 | 0 | 4-pyranones | metabolite |
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. | 7.83 | 3 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 3.13 | 5 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
4-hydroxyphenylethanol
4-hydroxyphenylethanol: in chest gland secretion of galagos. 2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group. | 3.9 | 4 | 0 | phenols | anti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent |
oleanolic acid
[no description available] | 2.79 | 3 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | 4.06 | 4 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
lignoceric acid
lignoceric acid: RN given refers to parent cpd; structure. tetracosanoic acid : A C24 straight-chain saturated fatty acid. | 2.05 | 1 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component |
3-hydroxyflavone
3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | 2.25 | 1 | 0 | flavonols;
monohydroxyflavone | |
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 2.08 | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 2.11 | 1 | 0 | copper group element atom;
elemental gold | |
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end. | 3 | 1 | 0 | | |
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. | 4.02 | 13 | 0 | D-glucopyranose | epitope;
mouse metabolite |
betulinic acid
[no description available] | 3.01 | 4 | 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 |
arctigenin
arctigenin: precursor to catechols; in many plants | 7.46 | 2 | 0 | lignan | |
secoisolariciresinol
secoisolariciresinol: RN given refers to ((R-(R*,R*))-isomer); RN for cpd without isomeric designation not available 8/89; precursor of lignans found in human urine; structure given in first source. secoisolariciresinol : A lignan that is butane-1,4-diol in which the 2 and 3 positions are substituted by 4-hydroxy-3-methoxybenzyl groups. (-)-secoisolariciresinol : An enantiomer of secoisolariciresinol having (-)-(2R,3R)-configuration. | 5.6 | 22 | 0 | secoisolariciresinol | antidepressant;
phytoestrogen;
plant metabolite |
masoprocol
Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils.. masoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. | 3.51 | 2 | 0 | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite |
sesamin
(+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. | 4.5 | 7 | 0 | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite |
plumieride
plumieride: RN refers to (1S-(1alpha,4aalpha,7alpha(R*),7aalpha))-isomer; from Allamanda cathartica & Himatanthus fallax; structure in first source | 1.99 | 1 | 0 | glycoside | |
3,4-dihydroxyphenylethanol
3,4-dihydroxyphenylethanol: serotonin metabolite; structure | 3.03 | 4 | 0 | catechols;
primary alcohol | antineoplastic agent;
antioxidant;
metabolite |
dehydroabietic acid
dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. | 2.21 | 1 | 0 | abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid | allergen;
metabolite |
syringaresinol
[no description available] | 8.89 | 11 | 0 | aromatic ether;
furofuran;
lignan;
polyether;
polyphenol | plant metabolite |
burchellin
burchellin: isolated from Piper hancei Maxim; structure given in first source. burchellin : A neolignan with formula C20H20O5 that is isolated from Ocotea cymbarum and Piper wallichii. It is active against a variety of parasites including T. cruzi, the vector for Chagas disease. | 3.51 | 2 | 0 | | |
loliolide
loliolide: RN given refers to (6S-cis)-isomer | 7.21 | 1 | 0 | benzofurans | metabolite |
sesamolin
sesamolin: constituent of sesame oil; RN given refers to the (1S-(1alpha,3aalpha,4alpha,6aalpha)-isomer); inhibits proliferation of human lymphocytic leukemia cells in culture | 1.99 | 1 | 0 | benzodioxoles | |
erythrodiol
[no description available] | 2.08 | 1 | 0 | diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol | plant metabolite |
pisatin
pisatin: phytoalexin produced in plants after injection with fungi; RN given refers to (6aS-cis)-isomer; structure | 2.11 | 1 | 0 | | |
2,3-bis(3'-hydroxybenzyl)butyrolactone
2,3-bis(3'-hydroxybenzyl)butyrolactone: lignan isolated from urine of humans & other mammals; RN given refers to cpd without isomeric designation; structure given in second source | 2.81 | 3 | 0 | lignan | |
matairesinol
matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). | 3.99 | 13 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
2,3-bis(3'-hydroxybenzyl)butane-1,4-diol
2,3-bis(3'-hydroxybenzyl)butane-1,4-diol: lignan isolated from urine of humans & other mammals | 2.81 | 3 | 0 | lignan | |
skullcapflavone ii
skullcapflavone II: cytotoxic principle from Scutellariae radix; structure given in first source. scullcapflavone II : A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively. | 2.11 | 1 | 0 | dihydroxyflavone;
tetramethoxyflavone | anti-asthmatic drug;
plant metabolite |
justicidin a
justicidins: from Justica procumbens | 2.03 | 1 | 0 | lignan | |
isolariciresinol
isolariciresinol: RN given refers to ((1-S-(1alpha,2beta,3alpha))-isomer); structure given in first source. (+)-isolariciresinol : A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis. | 8.13 | 5 | 0 | guaiacols;
lignan;
polyphenol;
primary alcohol | plant metabolite |
pluviatolide
pluviatolide: structure. (-)-pluviatolide : A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). | 2.25 | 1 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
elenolic acid
elenolic acid: extract of olive plant; RN given refers to (2S-(2alpha,3alpha,4beta))-isomer; structure | 3.37 | 2 | 0 | | |
campesterol
campesterol: RN refers to (3beta,24R)-isomer; structure | 2.06 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C28-steroid;
phytosterols | mouse metabolite |
pinoresinol diglucoside
pinoresinol diglucoside: major antihypertensive principle of Tu-Chung (Eucummia ulmoides, Oliver); structure | 2.83 | 3 | 0 | | |
lignin
Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 10.15 | 14 | 0 | | |
medioresinol
medioresinol: has both leishmanicidal and antifungal activities; isolated from Sambucus williamsii; structure in first source. (-)-medioresinol : A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. | 3.21 | 5 | 0 | dimethoxybenzene;
furofuran;
lignan;
polyphenol | plant metabolite |
pimaric acid
pimaric acid: RN given refers to (D)-isomer; structure | 2.21 | 1 | 0 | diterpenoid | |
eudesmin
eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol | 7.4 | 2 | 0 | | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 4.25 | 5 | 0 | | |
lariciresinol
lariciresinol: found in human urine. (+)-lariciresinol : A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). | 5.68 | 24 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin. | 2.13 | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
lotaustralin
lotaustralin: higher homologue of linamarin from flax; a cyanogenic glycoside; RN given refers to (R)-isomer; structure | 2.11 | 1 | 0 | cyanogenic glycoside | |
hinokinin
hinokinin: suppresses expression of both HBsAg and HBeAg. hinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). | 2.44 | 2 | 0 | benzodioxoles;
gamma-lactone;
lignan | trypanocidal drug |
lignans
Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | 9.2 | 142 | 0 | | |
n-formylmethionine leucyl-phenylalanine
N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated.. N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor. | 2.07 | 1 | 0 | tripeptide | |
geniposidic acid
[no description available] | 2.13 | 1 | 0 | terpene glycoside | |
sodium arsenite
sodium arsenite : An inoganic sodium salt with formula with formula NaAsO2. | 2.21 | 1 | 0 | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.11 | 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. | 2.49 | 2 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.78 | 3 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
iridoids
Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES). | 3.59 | 8 | 0 | | |
gamma-sitosterol
clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. | 3.3 | 6 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | 2.21 | 1 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
glycosides
[no description available] | 3.86 | 11 | 0 | | |
flavin-adenine dinucleotide
Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972) | 1.99 | 1 | 0 | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group |
sesquiterpenes
[no description available] | 2.49 | 2 | 0 | | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.13 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
coniferyl alcohol
coniferyl alcohol: structure. coniferol : A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. | 8.31 | 6 | 0 | guaiacols;
phenylpropanoid | animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component |
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 8.51 | 7 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
nadp
[no description available] | 2.47 | 2 | 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) | 2.47 | 2 | 0 | | |
gomisin j
gomisin J: a lignan from Schizandra fruits | 2.08 | 1 | 0 | | |
8-hydroxypinoresinol
8-hydroxypinoresinol: cytoprotective lignan from Forsythia suspensa; structure in first source | 2.11 | 1 | 0 | lignan | |
laccase
Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 2.73 | 3 | 0 | | |
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982 | 3.3 | 6 | 0 | | |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 2.07 | 1 | 0 | | |
fraxetin
fraxetin : A hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. | 3 | 1 | 0 | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent |
olivil
olivil: from the olive tree (Olea europaea Linne; Oleaceae); structure in first source | 2.11 | 1 | 0 | | |
quercetin
[no description available] | 2.77 | 3 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.05 | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.02 | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
luteolin
[no description available] | 2.42 | 2 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
scopoletin
[no description available] | 2.74 | 3 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
sinapyl alcohol
sinapyl alcohol: has anti-inflammatory and antinociceptive properties; structure in first source. trans-sinapyl alcohol : Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols.. sinapyl alcohol : A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. | 2.6 | 1 | 0 | sinapyl alcohol | monolignol |
coniferaldehyde
coniferaldehyde: from aqueous extract of Senra incana. coniferyl aldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. | 2.74 | 3 | 0 | cinnamaldehydes;
guaiacols;
phenylpropanoid | antifungal agent;
plant metabolite |
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.11 | 1 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
kaempferol
[no description available] | 2.52 | 2 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
harmine
Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. | 2.06 | 1 | 0 | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite |
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 2.06 | 1 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
oleuropein
oleuropein: iridoid isolated from leaves and fruit of Olea and Ligustrum (Oleaceae). oleuropein : A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. | 8.48 | 7 | 0 | beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside | anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger |
rhamnetin
rhamnetin: aglycone of xanthorhamnin; from Rhamnus. rhamnetin : A monomethoxyflavone that is quercetin methylated at position 7. | 2.07 | 1 | 0 | monomethoxyflavone;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
metabolite |
wogonin
wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. | 2.07 | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite |
forsythiaside
forsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao) | 2.15 | 1 | 0 | hydroxycinnamic acid | |
syringin
syringin: a phenylpropanoid glycoside; see also eleutherosides & lyoniside for eleutheroside A: 474-58-8. syringin : A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. | 2.05 | 1 | 0 | beta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol | hepatoprotective agent;
plant metabolite |
octadecyl caffeate
caffeic acid n-octadecyl ester: isolated from Daphne acutiloba Rehd; structure in first source | 2.07 | 1 | 0 | | |
dehydrodiconiferyl alcohol
dehydrodiconiferyl alcohol: structure given in first source. dehydrodiconiferyl alcohol : A guaiacyl lignin obtained by cyclodimerisation of coniferol. | 2.52 | 2 | 0 | 1-benzofurans;
guaiacols;
guaiacyl lignin;
primary alcohol | anti-inflammatory agent;
plant metabolite |
hinokiresinol
hinokiresinol: RN given for (S-(E))-isomer; inhibits binding of leukotriene B4 to neutrophils; structurein first source | 2.02 | 1 | 0 | | |
aldosterone
dehydrodiisoeugenol: an isoeugenol dimer, inhibits lipopolysaccharide-stimulated nuclear factor kappa B activation and cyclooxygenase-2 expression in macrophages; structure in first source | 3.51 | 2 | 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 | 2.49 | 2 | 0 | | |
avicularin
avicularin: from Polygonum aviculare L.; RN given refers to L-isomer. avicularin : A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare. | 2.1 | 1 | 0 | alpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
abscisic acid
Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. | 7.07 | 1 | 0 | 2-trans-abscisic acid | |
acuminatin
acuminatin: from Epimedium acuminatum; Chemline give RN 41744-39-2 for acuminatin, but the compound has a different structure than the one given in journal. acuminatin : A neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively. | 2.01 | 1 | 0 | 1-benzofurans;
dimethoxybenzene;
neolignan;
olefinic compound;
ring assembly | fungal metabolite;
plant metabolite |
beta-escin
[no description available] | 1.99 | 1 | 0 | | |
secoisolariciresinol diglucoside
secoisolariciresinol diglucoside: major precursor of mammalian lignans; structure given in first source; RN given refers to B-D-GLUCO isomer | 2.49 | 2 | 0 | | |
hydroxymatairesinol
hydroxymatairesinol: a plant lignan from Norway spruce (Picea abies); structure in first source | 2.49 | 2 | 0 | | |
scopolamine hydrobromide
[no description available] | 2.21 | 1 | 0 | | |
phytosterols
Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. | 2.74 | 3 | 0 | | |
odoratin
odoratin: structure; RN given refers to cpd without isomeric designation | 2.07 | 1 | 0 | | |
ligstroside
ligstroside: structure in first source. ligstroside : A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 4-hydroxyphenethyl ester (the 2S,3E,4S stereoisomer). An important phenolic compound present in olive cultivars. | 2.47 | 2 | 0 | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite |
lyoniside
lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer | 2 | 1 | 0 | | |
ceruletide
Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. | 2.21 | 1 | 0 | oligopeptide | diagnostic agent;
gastrointestinal drug |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.6 | 1 | 0 | glycoside | |
interiotherin b
interiotherin B: isolated from kadsura interior; structure given in first source. interiotherin B : A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester side chain. It is isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. | 2.08 | 1 | 0 | aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle | anti-HIV agent;
metabolite |
cycloeucalenone
cycloeucalenone: from the stems of Tinospora crispa; structure in first source. cycloeucalenone : A pentacyclic triterpenoid that is 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-ene which is substituted by an oxo group at position 3. It has been isolated from several plant species including Quercus variabilis, Ammocharis coranica, Solanum cernuum and Tinospora crispa. | 2.11 | 1 | 0 | 3-oxo-5alpha-steroid;
cyclic terpene ketone;
pentacyclic triterpenoid | plant metabolite |
balanophonin
balanophonin: from fruit wall of Cirsium vulgare; structure in first source | 2.81 | 3 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.17 | 1 | 0 | | |
interleukin-8
Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells. | 2.07 | 1 | 0 | | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 4.11 | 5 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
phytoestrogens
Phytoestrogens: Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS. | 2.78 | 3 | 0 | | |
flavin mononucleotide
Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues. | 1.99 | 1 | 0 | | |