Compounds > beta-hederin
Page last updated: 2024-12-08

beta-hederin

Description

beta-hederin: derived from beta-amyrin; other hederigenin based saponins are available [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID441929
CHEMBL ID502407
CHEBI ID10419
SCHEMBL ID22761642
MeSH IDM0368526

Synonyms (16)

Synonym
olean-12-en-28-oic acid, 3-[[2-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.alpha.-l-arabinopyranosyl]oxy]-, (3.beta.)-
.beta.-hederin
(4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(2s,3r,4s,5s)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-c
35790-95-5
C08955 ,
beta-hederin
(4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(2s,3r,4s,5s)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CHEMBL502407 ,
chebi:10419 ,
DTXSID90331673
CS-0129980
HY-N7489
AKOS037514570
FS-9829
Q27108632
SCHEMBL22761642

Research Excerpts

Pharmacokinetics

ExcerptReferenceRelevance
" The assay was successfully applied to study the pharmacokinetic behavior of the three analytes in rats after oral and intravenous administration of a mixture of saponins (hederacoside C, hederacoside D, and ɑ-hederin)."( Pharmacokinetic parameters of three active ingredients hederacoside C, hederacoside D, and ɑ-hederin in Hedera helix in rats.
Li, L; Liu, J; Xing, Y; Xu, H; Yu, M; Yu, Z; Zhao, Y, 2016)		0.43
" Main pharmacokinetic parameters were as follows： tmax (0."( [Pharmacokinetics and tissue distribution of α-hederin sodium salt in rats].
Feng, YL; He, MZ; Li, Y; Li, ZF; Liu, Z; Ouyang, H; Yang, SL, 2016)		0.43

Dosage Studied

ExcerptRelevanceReference
" Plasma Zn concentration decreased after alpha-hederin treatment to a level approximately 75% of control at a dosage of 30 mumol/kg and 50% of control at 300 mumol/kg."( Altered Zn status by alpha-hederin in the pregnant rat and its relationship to adverse developmental outcome.
Baines, D; Daston, GP; Keen, CL; Lehman-McKeeman, LD; Overmann, GJ; Rogers, JM; Taubeneck, MW, )		0.13
" The objective of this study was to determine whether dosing of alpha-hederin throughout organogenesis would result in a sustained elevation of maternal hepatic metallothionein and subsequent developmental abnormalities."( Repeated administration of alpha-hederin results in alterations in maternal zinc status and adverse developmental outcome in the rat.
Baines, D; Daston, GP; Duffy, JY; Keen, CL; Overmann, GJ, 1997)		0.3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
triterpenoidAny terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
[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]

Bioassays (37)

Assay IDTitleYearJournalArticle
AID1591909Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitirc oxide production preincubated for 1 hr followed by LPS-stimulation and measured after 18 hrs by Griess assay2019Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16
Bioactive triterpene glycosides from the fruit of Stauntonia hexaphylla and insights into the molecular mechanism of its inflammatory effects.
AID1763686Cytotoxicity against human L02 cells assessed as increase in LDH leakage by LDH assay2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763666Induction of apoptosis in human L02 cells assessed as early apoptotic cells at 26 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 3.81 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID379296Antiproliferative activity against mouse J774 cells assessed as reduction of cell growth after 72 hrs by MTT method2000Journal of natural products, Mar, Volume: 63, Issue:3
Antiproliferative triterpene saponins from Trevesia palmata.
AID1763688Oil-water apparent partition coefficient of the compound2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID393219Cytotoxicity against human A549 cells after 48 hrs by resazurin reduction test2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID1763682Induction of cell cycle arrest in human L02 cells assessed as G2/M phase accumulation at 24 uM by PI staining based flow cytometry analysis (Rvb = 8 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763654Hemolytic activity in rabbit erythrocytes2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763662Induction of apoptosis in human L02 cells assessed as early apoptotic cells at 18 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 3.81 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID379298Antiproliferative activity against mouse WEHI164 cells assessed as reduction of cell growth after 72 hrs by MTT method2000Journal of natural products, Mar, Volume: 63, Issue:3
Antiproliferative triterpene saponins from Trevesia palmata.
AID1763684Induction of cell cycle arrest in human L02 cells assessed as S phase accumulation at 26 uM by PI staining based flow cytometry analysis (Rvb = 38.23 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763680Induction of cell cycle arrest in human L02 cells assessed as G0/G1 phase accumulation at 24 uM by PI staining based flow cytometry analysis (Rvb = 53.77 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID752628Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay2013European journal of medicinal chemistry, Jun, Volume: 64Synthesis and antitumor activities of naturally occurring oleanolic acid triterpenoid saponins and their derivatives.
AID393222Cell membrane permeabilization in human A549 cells assessed as drug level causing decrease in calcein fluorescence2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID393220Cytotoxicity against human DLD1 cells after 48 hrs by resazurin reduction test2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID1763667Induction of apoptosis in human L02 cells assessed as late apoptotic cells at 26 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 0.92 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1591912Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced COX2 expression at 1 to 5 uM preincubated for 1 hr followed by LPS-stimulation and measured after 16 hrs by Western blot analysis2019Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16
Bioactive triterpene glycosides from the fruit of Stauntonia hexaphylla and insights into the molecular mechanism of its inflammatory effects.
AID1763683Induction of cell cycle arrest in human L02 cells assessed as G0/G1 phase accumulation at 26 uM by PI staining based flow cytometry analysis (Rvb = 53.77 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763677Induction of cell cycle arrest in human L02 cells assessed as G0/G1 phase accumulation at 18 uM by PI staining based flow cytometry analysis (Rvb = 53.77 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763665Induction of apoptosis in human L02 cells assessed as late apoptotic cells at 24 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 0.92 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID381214Cytotoxicity against human HL-60 cells after 72 hrs by MTT assay1999Journal of natural products, Sep, Volume: 62, Issue:9
Triterpene saponins and lignans from the roots of Pulsatilla chinensis and their cytotoxic activity against HL-60 cells.
AID1763685Induction of cell cycle arrest in human L02 cells assessed as G2/M phase accumulation at 26 uM by PI staining based flow cytometry analysis (Rvb = 8 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763678Induction of cell cycle arrest in human L02 cells assessed as S phase accumulation at 18 uM by PI staining based flow cytometry analysis (Rvb = 38.23 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID393223Cell membrane permeabilization in human DLD1 cells assessed as drug level causing decrease in calcein fluorescence2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID1591911Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS expression at 1 to 5 uM preincubated for 1 hr followed by LPS-stimulation and measured after 16 hrs by Western blot analysis2019Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16
Bioactive triterpene glycosides from the fruit of Stauntonia hexaphylla and insights into the molecular mechanism of its inflammatory effects.
AID752629Cytotoxicity against human HL60 cells after 72 hrs by MTT assay2013European journal of medicinal chemistry, Jun, Volume: 64Synthesis and antitumor activities of naturally occurring oleanolic acid triterpenoid saponins and their derivatives.
AID393224Cell membrane permeabilization in human WS1 cells assessed as drug level causing decrease in calcein fluorescence2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID1763664Induction of apoptosis in human L02 cells assessed as early apoptotic cells at 24 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 3.81 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763663Induction of apoptosis in human L02 cells assessed as late apoptotic cells at 18 uM by annexin-V-FITC/PI staining based flow cytometry analysis (Rvb = 0.92 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID379297Antiproliferative activity against HEK293 cells assessed as reduction of cell growth after 72 hrs by MTT method2000Journal of natural products, Mar, Volume: 63, Issue:3
Antiproliferative triterpene saponins from Trevesia palmata.
AID1763687Oil-water partition coefficient, logP of compound2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID752627Cytotoxicity against human A375 cells after 72 hrs by sulforhodamine B assay2013European journal of medicinal chemistry, Jun, Volume: 64Synthesis and antitumor activities of naturally occurring oleanolic acid triterpenoid saponins and their derivatives.
AID393221Cytotoxicity against human WS1 cells after 48 hrs by resazurin reduction test2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
AID1763655Cytotoxicity against human L02 cells by MTT assay2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763681Induction of cell cycle arrest in human L02 cells assessed as S phase accumulation at 24 uM by PI staining based flow cytometry analysis (Rvb = 38.23 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID1763679Induction of cell cycle arrest in human L02 cells assessed as G2/M phase accumulation at 18 uM by PI staining based flow cytometry analysis (Rvb = 8 %)2021Bioorganic & medicinal chemistry letters, 07-01, Volume: 43Pulchinenosides: Correlation of surface activity-cytotoxicity and hepatocyte apoptosis mechanism study.
AID393218Toxicity in sheep erythrocytes assessed as induction of hemolysis2009Bioorganic & medicinal chemistry, Mar-01, Volume: 17, Issue:5
Haemolytic activity, cytotoxicity and membrane cell permeabilization of semi-synthetic and natural lupane- and oleanane-type saponins.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (79)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (1.27)18.7374
1990's16 (20.25)18.2507
2000's22 (27.85)29.6817
2010's35 (44.30)24.3611
2020's5 (6.33)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.46

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index11.46 (24.57)
Research Supply Index4.45 (2.92)
Research Growth Index5.91 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.46)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews3 (3.53%)6.00%
Case Studies1 (1.18%)4.05%
Observational0 (0.00%)0.25%
Other81 (95.29%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.		2.0110alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion.		2.3920halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
histamine
[no description available]		2.4920aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
nitrites
Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)		2.0110monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		1.9910azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.		2.1510methylpyridines;
phenylpyridine;
tetrahydropyridine		neurotoxin
3-methylcholanthrene
Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.		1.9910ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.		2.0810aromatic ether;
nitrile;
polyether;
tertiary amino compound
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.		2.0410nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
hexamethonium
Hexamethonium: A nicotinic cholinergic antagonist often referred to as the prototypical ganglionic blocker. It is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier. It has been used for a variety of therapeutic purposes including hypertension but, like the other ganglionic blockers, it has been replaced by more specific drugs for most purposes, although it is widely used a research tool.		2.0710quaternary ammonium salt
isoproterenol
Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.		2.4920catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.		2.420barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
propidium
Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.		2.1110phenanthridines;
quaternary ammonium ion		fluorochrome;
intercalator
terbutaline
Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.		2.0210phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
zinc chloride
zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.		1.9810inorganic chloride;
zinc molecular entity		astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid
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.		1.9910chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
methacholine chloride
Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116)		2.4920quaternary ammonium salt
1,2-dipalmitoylphosphatidylcholine
1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.		2.1310
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.		3.4110monoterpenoid;
phenols		volatile oil component
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.		2.0510cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
thymoquinone
thymoquinone: constituent of cedarwood; can cause dermatitis; structure. thymoquinone : A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity.		5.22501,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
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).		3.4110botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
oleanolic acid
[no description available]		7.62750hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
dihydroferulic acid
dihydroferulic acid: structure in first source. dihydroferulic acid : A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group.		2.2110guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
cadmium
Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.		2.3920cadmium molecular entity;
zinc group element atom
cadmium chloride
Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.		2.3920cadmium coordination entity
rhamnose
[no description available]		2.0310L-rhamnose
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.		2.0510benzenes;
phenyl acetates
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).		2.1710taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide
[no description available]		210beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
colforsin
Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.		2.0210acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
betulinic acid
[no description available]		2.0510hydroxy 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
betulin
betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.		2.0510diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
pulsatilla saponin a
Pulsatilla saponin A: has antineoplastic activity; isolated from Pulsatilla chinensis; structure in first source. kalopanaxsaponin A : A triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the stem bark of Kalopanax pictus.		3.1950disaccharide derivative;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
hederagenin
[no description available]		3.4470dihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin		plant metabolite
arjunolic acid
arjunolic acid: oleanane type; isol from Cochlospermum tinctorium (Bixaceae); structure given in first source; RN given refers to (2alpha,3beta,4alpha)-isomer; RN for cpd without isomeric designation not avail 12/89. arjunolic acid : A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities.		2.2110hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite
beta-peltatin
beta-peltatin : An organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether.		210furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
10-hydroxycamptothecin
[no description available]		2.0810pyranoindolizinoquinoline
sapindoside b
sapindoside B: isolated from Locinera fulvotomentosa; structure given in first source; RN given refers to (3beta,4alpha)-isomer; RN for cpd without isomer designation not avail 12/89		2.3820
cussonoside a
cussonoside A: triterpene saponin from Cussonia barteri (Araliaceae) with sedative effect;		2.2110
atropine
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.		2.0710
arabinose
[no description available]		2.0310L-arabinoseEscherichia coli metabolite;
mouse metabolite
3-o-(alpha-l-arabinopyranosyl)hederagenin
Akebia saponin PA: isolated from Dipsacus asperoides; structure in first source. hederagenin 3-O-arabinoside : A triterpenoid saponin that is hederagenin attached to an alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage.		2.520alpha-L-arabinopyranoside;
hydroxy monocarboxylic acid;
monosaccharide derivative;
pentacyclic triterpenoid;
triterpenoid saponin		plant metabolite
l 743,872
[no description available]		2.110
glycosides
[no description available]		2.4220
mercaptopurine
Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.		210aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
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)		2.0210
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982		2.0210
ovalbumin
Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.		2.8130
fluticasone
Fluticasone: A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS.. fluticasone : A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.		2.111011beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester		anti-allergic agent;
anti-asthmatic drug
selenium
Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.		1.9810chalcogen;
nonmetal atom		micronutrient
beta-escin
[no description available]		7.6730
alpha-synuclein
alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection.		2.1510
kalopanax saponin b
kalopanax saponin B: isolated from Kalopanax septemlobus; structure given in first source. kalopanaxsaponin B : A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus.		3.5580carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
pulsatilla saponin d
[no description available]		2.7430triterpenoidmetabolite
(-)-pinoresinol
(-)-pinoresinol : An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.		210pinoresinolplant metabolite
lyoniside
lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer		2.0210
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.		2.7930
sapogenins
Sapogenins: The aglucon moiety of a saponin molecule. It may be triterpenoid or steroid, usually spirostan, in nature.		2.0510
dipsacoside b
dipsacoside B: from flowers of Lonicera macranthoides Hand		2.2110
cauloside D
[no description available]		2.2110carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
chitosan
[no description available]		2.1110
methyl jasmonate
[no description available]		2.0510
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.		1.9910ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
macranthoidin b
[no description available]		2.2110
cyclin d1
Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.		2.2110
fulvotomentoside a
fulvotomentoside A: isolated from Lonicera fulvotomentosa; structure given in first source		1.9710
metallothionein
Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.		3.0950
ConditionIndicatedRelationship StrengthStudiesTrials
Extravascular Hemolysis
[description not available]		02.0510
Hemolysis
The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.		02.0510
Cancer of Stomach
[description not available]		02.6320
Stomach Neoplasms
Tumors or cancer of the STOMACH.		02.6320
Diabetes Mellitus
A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.		03.2310
Allergic Reaction
[description not available]		03.2310
Diseases of Immune System
[description not available]		03.2310
Hypersensitivity
Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.		03.2310
Immune System Diseases
Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both.		03.2310
Respiratory Tract Diseases
Diseases involving the RESPIRATORY SYSTEM.		03.2310
Cancer of Colon
[description not available]		02.1710
Colonic Neoplasms
Tumors or cancer of the COLON.		02.1710
Liver Dysfunction
[description not available]		03.3520
Liver Diseases
Pathological processes of the LIVER.		03.3520
Carcinoma, Non-Small Cell Lung
[description not available]		02.1710
Cancer of Lung
[description not available]		02.5220
Carcinoma, Non-Small-Cell Lung
A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.		02.1710
Lung Neoplasms
Tumors or cancer of the LUNG.		02.5220
Colorectal Cancer
[description not available]		02.2110
Colorectal Neoplasms
Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.		02.2110
Esophageal Squamous Cell Carcinoma
A carcinoma that originates usually from cells on the surface of the middle and lower third of the ESOPHAGUS. Tumor cells exhibit typical squamous morphology and form large polypoid lesions. Mutations in RNF6, LZTS1, TGFBR2, DEC1, and WWOX1 genes are associated with this cancer.		02.2110
Cancer of Esophagus
[description not available]		02.2110
Esophageal Neoplasms
Tumors or cancer of the ESOPHAGUS.		02.2110
Breast Cancer
[description not available]		02.110
Breast Neoplasms
Tumors or cancer of the human BREAST.		02.110
Experimental Lung Inflammation
Inflammation of any part, segment or lobe, of the lung parenchyma.		02.5220
Pneumonia
Infection of the lung often accompanied by inflammation.		02.5220
Cancer of Liver
[description not available]		02.1110
Liver Neoplasms
Tumors or cancer of the LIVER.		02.1110
Asthma, Bronchial
[description not available]		02.1310
Asthma
A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).		02.1310
Degenerative Diseases, Central Nervous System
[description not available]		02.1510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.1510
Neurodegenerative Diseases
Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.		02.1510
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		02.0510
Benign Neoplasms
[description not available]		02.0510
Neoplasms
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.		02.0510
Muscle Contraction
A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.		02.7730
Muscle Relaxation
That phase of a muscle twitch during which a muscle returns to a resting position.		02.0610
Lung Adenocarcinoma
[description not available]		02.0710
Adenocarcinoma, Basal Cell
[description not available]		02.0710
Adenocarcinoma of Lung
A carcinoma originating in the lung and the most common lung cancer type in never-smokers. Malignant cells exhibit distinct features such as glandular epithelial, or tubular morphology. Mutations in KRAS, EGFR, BRAF, and ERBB2 genes are associated with this cancer.		02.0710
Adenocarcinoma
A malignant epithelial tumor with a glandular organization.		02.0710
Adjuvant Arthritis
[description not available]		02.730
Anasarca
[description not available]		02.4220
Edema
Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.		02.4220
Leukemia P388
An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.		02.0110
Acute Liver Injury, Drug-Induced
[description not available]		01.9810
Adverse Drug Event
[description not available]		01.9810
Chemical and Drug Induced Liver Injury
A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.		01.9810
Drug-Related Side Effects and Adverse Reactions
Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.		01.9810
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		01.9910
Experimental Hepatoma
[description not available]		0210
Carcinoma, Lewis Lung
A carcinoma discovered by Dr. Margaret R. Lewis of the Wistar Institute in 1951. This tumor originated spontaneously as a carcinoma of the lung of a C57BL mouse. The tumor does not appear to be grossly hemorrhagic and the majority of the tumor tissue is a semifirm homogeneous mass. (From Cancer Chemother Rep 2 1972 Nov;(3)1:325) It is also called 3LL and LLC and is used as a transplantable malignancy.		0210
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		0210
Rheumatoid Arthritis
[description not available]		02.0110
Arthritis, Rheumatoid
A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.		02.0110
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