Compounds > 3-deoxysappanchalcone
Page last updated: 2024-11-11

3-deoxysappanchalcone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

3-deoxysappanchalcone: Anti-allergic from the roots and heartwood of Caesalpinia sappan; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

2'-O-methylisoliquiritigenin : A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group. [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]

FloraRankFlora DefinitionFamilyFamily Definition
CaesalpiniagenusA plant genus of the family FABACEAE. The common name of Bird-Of-Paradise is also used for other plants such as Heliconia (HELICONIACEAE) and Strelitzia (STRELITZIACEAE) and some birds. The common name of Cat's-Claw is more often used with UNCARIA. The common name of Pernambuco also refers to a state in Brazil. Furanoditerpenoid lactones and caesalpin are produced by members of this genus.[MeSH]FabaceaeThe large family of plants characterized by pods. Some are edible and some cause LATHYRISM or FAVISM and other forms of poisoning. Other species yield useful materials like gums from ACACIA and various LECTINS like PHYTOHEMAGGLUTININS from PHASEOLUS. Many of them harbor NITROGEN FIXATION bacteria on their roots. Many but not all species of beans belong to this family.[MeSH]

Cross-References

ID SourceID
PubMed CID5319688
CHEMBL ID253777
CHEBI ID519567
SCHEMBL ID799750
MeSH IDM0537669

Synonyms (35)

Synonym
2'-o-methylisoliquiritigenin
4,4'-dihydroxy-2'-methoxy chalcone
isoliquiritigenin 2'-methy ether
LMPK12120098
3-deoxysappanchalcone
3'-deoxy-sappanchalcone
2'-methoxyisoliquiritigenin
2'-methoxy liquiritigenin
CHEMBL253777 ,
chebi:519567 ,
(2e)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
4,4'-dihydroxy-2'-methoxychalcone
51828-10-5
SCHEMBL799750
(2e)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
LHE9JFQ1U8 ,
2-propen-1-one, 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2e)-
112408-67-0
unii-lhe9jfq1u8
(e)-1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one
4,4'-dihydroxy-2'-methoxychal-cone
AKOS032948837
2''''-methoxyisoliquiritigenin
2''''-o-methylisoliquiritigenin
2''''-methoxy liquiritigenin
bdbm50492024
3''''-deoxy-sappanchalcone
HY-N1745
CS-0017421
Q27225760
MS-23824
2'--ethylisoliquiritigein
E80640
PD196217
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (3)

ClassDescription
chalconesA ketone that is 1,3-diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar, and its derivatives formed by substitution.
monomethoxybenzeneCompounds containing a benzene skeleton substituted with one methoxy group.
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
[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]

Pathways (1)

PathwayProteinsCompounds
isoflavonoid biosynthesis I014
isoflavonoid biosynthesis I120

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Neuraminidase Influenza A virus (A/Wilson-Smith/1933(H1N1))IC50 (µMol)24.30000.00000.503510.0000AID753437
Calpain-1 catalytic subunitHomo sapiens (human)IC50 (µMol)16.92000.00021.059210.0000AID1713000
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (8)

Processvia Protein(s)Taxonomy
proteolysisCalpain-1 catalytic subunitHomo sapiens (human)
positive regulation of cell population proliferationCalpain-1 catalytic subunitHomo sapiens (human)
regulation of macroautophagyCalpain-1 catalytic subunitHomo sapiens (human)
receptor catabolic processCalpain-1 catalytic subunitHomo sapiens (human)
regulation of catalytic activityCalpain-1 catalytic subunitHomo sapiens (human)
mammary gland involutionCalpain-1 catalytic subunitHomo sapiens (human)
self proteolysisCalpain-1 catalytic subunitHomo sapiens (human)
regulation of NMDA receptor activityCalpain-1 catalytic subunitHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Processvia Protein(s)Taxonomy
calcium-dependent cysteine-type endopeptidase activityCalpain-1 catalytic subunitHomo sapiens (human)
calcium ion bindingCalpain-1 catalytic subunitHomo sapiens (human)
protein bindingCalpain-1 catalytic subunitHomo sapiens (human)
peptidase activityCalpain-1 catalytic subunitHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
cornified envelopeCalpain-1 catalytic subunitHomo sapiens (human)
extracellular regionCalpain-1 catalytic subunitHomo sapiens (human)
mitochondrionCalpain-1 catalytic subunitHomo sapiens (human)
lysosomeCalpain-1 catalytic subunitHomo sapiens (human)
cytosolCalpain-1 catalytic subunitHomo sapiens (human)
plasma membraneCalpain-1 catalytic subunitHomo sapiens (human)
focal adhesionCalpain-1 catalytic subunitHomo sapiens (human)
membraneCalpain-1 catalytic subunitHomo sapiens (human)
extracellular exosomeCalpain-1 catalytic subunitHomo sapiens (human)
calpain complexCalpain-1 catalytic subunitHomo sapiens (human)
ficolin-1-rich granule lumenCalpain-1 catalytic subunitHomo sapiens (human)
cytoplasmCalpain-1 catalytic subunitHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (47)

Assay IDTitleYearJournalArticle
AID341707Inhibition of FGFR1 at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID547834Antiviral activity against KJ56-1 Porcine rotavirus G5P[7] infected in african green monkey TF-104 cells assessed as inhibition of viral mRNA synthesis at 40 to 50 uM after 18 hrs by RT-PCR analysis2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID341709Inhibition of KDR at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID341706Inhibition of c-Met at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID628343Estrogenic activity in human ER-positive MCF7 cells assessed as secreted alkaline phosphatase activity at 20 uM after 48 hrs by phospha-light reporter chemiluminescence assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID470661Cytotoxicity against human PANC1 cells in nutrient-deprived condition after 24 hrs by WST8 assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID470662Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID341711Inhibition of EGFR at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID628253Cytotoxicity against human MCF7 cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID547827Selectivity index, ratio of CC50 for african green monkey TF-104 cells to EC50 for virucidal activity against KJ56-1 Povine rotavirus G8P[7]2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID470666Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID628254Cytotoxicity against human MDA-MB-231 cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID470664Cytotoxicity against human HeLa cells after 72 hrs by MTT assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID547832Antiviral activity against KJ56-1 Bovine rotavirus G8P[7] in human RBC assessed as inhibition of virus-induced hemagglutinination after 1 hr2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID547831Selectivity index, ratio of CC50 for african green monkey TF-104 cells to EC50 for cytopathic inhibition activity against KJ56-1 Povine rotavirus G8P[7]2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID341720Inhibition of FGFR2 at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID628258Cytotoxicity against human HepG2 cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID470665Cytotoxicity against mouse Colon 26-L5 cells after 72 hrs by MTT assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID547830Antiviral activity against KJ56-1 Porcine rotavirus G5P[7] infected in african green monkey TF-104 cells assessed as inhibition of virus-induced cytopathic effect after 72 hrs2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID404182Cytotoxicity against human A549 cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
AID547828Antiviral activity against KJ56-1 Bovine rotavirus G8P[7] infected in african green monkey TF-104 cells assessed as inhibition of virus-induced cytopathic effect after 72 hrs2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID341705Inhibition of c-Src at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID1713000Inhibition of human erythrocytes mu-calpain using Pep2 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescence assay2016European journal of medicinal chemistry, Oct-04, Volume: 121Neuroprotective effect of synthetic chalcone derivatives as competitive dual inhibitors against μ-calpain and cathepsin B through the downregulation of tau phosphorylation and insoluble Aβ peptide formation.
AID470663Cytotoxicity against human A549 cells after 72 hrs by MTT assay2009Journal of natural products, Sep, Volume: 72, Issue:9
Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID718435Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production after 24 hrs by Griess method2012Bioorganic & medicinal chemistry letters, Dec-15, Volume: 22, Issue:24
Compounds from the heartwood of Caesalpinia sappan and their anti-inflammatory activity.
AID628257Cytotoxicity against human Hep3B cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID547822Antiviral activity against KJ56-1 Porcine rotavirus G5P[7] in human RBC assessed as inhibition of virus-induced hemagglutinination after 1 hr2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID547833Antiviral activity against KJ56-1 Bovine rotavirus G8P[7] infected in african green monkey TF-104 cells assessed as inhibition of viral mRNA synthesis at 40 to 50 uM after 18 hrs by RT-PCR analysis2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID311534Antibacterial activity against Helicobacter pylori ATCC 43504 by agar dilution method2007Journal of natural products, Oct, Volume: 70, Issue:10
Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis.
AID753437Inhibition of Influenza A virus H1N1 neuraminidase2013Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12
Caffeic acid derivatives: a new type of influenza neuraminidase inhibitors.
AID404181Cytotoxicity against mouse LLC cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
AID468347Antiadipogenic activity against mouse 3T3L1 cells assessed as inhibition of differentiation after 7 days by oil-red O staining2009Journal of natural products, Oct, Volume: 72, Issue:10
Identification of antiadipogenic constituents of the rhizomes of Anemarrhena asphodeloides.
AID718434Antiinflammatory activity in mouse RAW264.7 cells assessed as reduction in LPS-induced iNOS expression incubated for 30 mins prior to LPS-challenge measured after 18 hrs2012Bioorganic & medicinal chemistry letters, Dec-15, Volume: 22, Issue:24
Compounds from the heartwood of Caesalpinia sappan and their anti-inflammatory activity.
AID341713Inhibition of cKit at 10 uM by ELISA2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.
AID313354Cytotoxicity against human PANC1 cells in nutrient deprived medium after 24 hrs2008Bioorganic & medicinal chemistry, Jan-01, Volume: 16, Issue:1
Constituents of Brazilian red propolis and their preferential cytotoxic activity against human pancreatic PANC-1 cancer cell line in nutrient-deprived condition.
AID628250Estrogenic activity in transgenic Arabidopsis thaliana transfected with pER8:GUS plasmid assessed as beta-glucuronidase expression after 48 hrs using 4-methylumbelliferyl-beta-D-glucuronide by fluorometric assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID628256Cytotoxicity against human Ca9-22 cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID547829Selectivity index, ratio of CC50 for african green monkey TF-104 cells to EC50 for cytopathic inhibition activity against KJ56-1 Bovine rotavirus G8P[7]2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID404180Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
AID458820Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase2010Bioorganic & medicinal chemistry letters, Feb-01, Volume: 20, Issue:3
Inhibition of neuraminidase activity by polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID547826Antiviral activity against KJ56-1 Porcine rotavirus G5P[7] infected in african green monkey TF-104 cells after 72 hrs by virucidal assay2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID458821Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase by noncompetitive inhibition assay2010Bioorganic & medicinal chemistry letters, Feb-01, Volume: 20, Issue:3
Inhibition of neuraminidase activity by polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID547823Cytotoxicity against african green monkey TF-104 cells after 72 hrs by MTT assay2010Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21
In vitro anti-rotavirus activity of polyphenol compounds isolated from the roots of Glycyrrhiza uralensis.
AID404184Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
AID404183Cytotoxicity against human HeLa cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
AID628255Cytotoxicity against human A549 cells after 3 days by MTT assay2011Journal of natural products, Aug-26, Volume: 74, Issue:8
Using the pER8:GUS reporter system to screen for phytoestrogens from Caesalpinia sappan.
AID404179Cytotoxicity against mouse colon 26-L5 cells after 72 hrs by MTT assay2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (18)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's7 (38.89)29.6817
2010's10 (55.56)24.3611
2020's1 (5.56)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 19.21

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 moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index19.21 (24.57)
Research Supply Index2.94 (2.92)
Research Growth Index4.52 (4.65)
Search Engine Demand Index15.26 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (19.21)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other18 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.		2.0510monohydroxybenzoic acidalgal metabolite;
plant metabolite
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.		2.7330nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
metronidazole
Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.		2.0310C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
raloxifene
raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.		2.06101-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
amoxicillin
Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.		2.0310penicillin allergen;
penicillin		antibacterial drug
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).		2.0410taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
arctigenin
arctigenin: precursor to catechols; in many plants		2.0410lignan
oseltamivir
Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.		2.4720acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
aloxistatin
aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.		2.1310epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
pinocembrin
pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea.		2.0510(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
medicarpin, (6as-cis)-isomer
(+)-medicarpin : The (+)-enantiomer of medicarpin.		2.4420medicarpin
(+)-Eudesmin
[no description available]		2.4420lignan
calpeptin
[no description available]		2.1310amino acid amide
brazilin
[no description available]		2.4720catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite
mci 9038
[no description available]		2.0310peptide
liquiritigenin
liquiritigenin: structure given in first source; isolated from Pterocarpus marsupium. 4',7-dihydroxyflavanone : A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7.. liquiritigenin : A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta.		2.74304',7-dihydroxyflavanonehormone agonist;
plant metabolite
celastrol
[no description available]		2.0710monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
gu 7
GU 7: structure given in first source; isolated from Glycyrrhizae Radix		2.0510isoflavonoid;
organic hydroxy compound
protosappanin a
[no description available]		2.7530catecholsmetabolite
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin.		2.4420(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
hematoxylin
haematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.		2.0410haematoxylin
mucronulatol
mucronulatol: compound from Caribbean propolis that exerts cytotoxic effects on human tumor cell lines. mucronulatol : A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively.		2.4420hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite
ononin
[no description available]		2.05104'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative		plant metabolite
syringaresinol
(+)-syringaresinol : The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol.		2.4420syringaresinolantineoplastic agent
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		2.4420resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
glycyrin
glycyrin: has antibacterial, antiviral, and hypotensive activities; isolated from licorice. glycyrin : A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity.		2.4620aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
glyasperin D
glyasperin D : A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.		2.4620aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite
licocoumarone
licocoumarone: has anti-inflammatory activity; isolated from Glycyrrhiza uralensis; structure in first source. licocoumarone : A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.		2.46201-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
likviriton
liquiritin: isoalted from Glycyrrhizae radix. liquiritin : A flavanone glycoside that is liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage.		2.0510beta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative		anti-inflammatory agent;
anticoronaviral agent;
plant metabolite
isoliquiritigenin
[no description available]		3.1450chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
(2S)-7-hydroxyflavanone
[no description available]		2.44207-hydroxyflavanone
tamoxifen
[no description available]		2.0610stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
biochanin a
[no description available]		2.44204'-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]		2.44204'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant 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.		2.44204'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite
2'-hydroxyformononetin
2'-hydroxyformononetin : A member of the class of 4'-methoxyisoflavones that is formononetin with a hydroxy group at the 2'position.		2.44204'-methoxyisoflavones;
7-hydroxyisoflavones		anti-inflammatory agent
genistein
[no description available]		2.46207-hydroxyisoflavonesantineoplastic 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]		2.0410chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
isobavachalcone
isobavachalcone: RN given for (E)-isomer; structure in first source. isobavachalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'.		2.0410chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor
daidzein
[no description available]		2.44207-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
pterostilbene
[no description available]		2.0510diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
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.		2.44204'-methoxyisoflavones;
7-hydroxyisoflavones
broussonin a
broussonin A: has antiviral activity; isolated from Anemarrhena asphodeloides; structure in first source		2.0510
Kumatakenin
[no description available]		2.0510ether;
flavonoids
loureirin a
loureirin A: a biologically active component of longxuejie, prepared from Dracaena cochinchinensis; structure in first source		2.4420
sappanchalcone
sappanchalcone: RN given from Toxline; RN not in Chemline 3/85; structure given in first source. sappanchalcone : A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity.		2.4520catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
neoglycyrol
neoglycyrol: structure given in first source; from Glycyrrhiza uralensis Fisch. glycyrol : A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively.		2.0510aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite
2',4'-dihydroxychalcone
2',4'-dihydroxychalcone: RN given refers to (E)-isomer; RN for cpd without isomeric designation not available 6/89; structure given in first source		2.7330
tetrahydroxycurcumin
[no description available]		2.0810beta-diketone;
catechols;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
neuroprotective agent;
plant metabolite
pinostilbene
pinostilbene: structure in first source. 3-methoxy-4',5-dihydroxy-trans-stilbene : A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether.		2.0510stilbenol
2,4,2'-trihydroxychalcone
2,4,2'-trihydroxychalcone: structure in first source		2.0510
3,5-dihydroxy-4'-methoxystilbene
4'-methoxyresveratrol: has anti-inflammatory effects in cell culture model		2.0310
brazilein
brazilein: structure given in first source; do not confuse with the dye brazilin. brazilein : A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood).		2.0610
nyasol
nyasol: from roots Asparagus africanus; structure given in first source		2.05101,3-bis(p-hydroxyphenyl)pentane-1,4-dieneplant metabolite
sappanone a
sappanone A: melanogenesis inhibitor from Caesalpinia sappan; structure in first source		2.0410
ca 074
[no description available]		2.1310
calpain inhibitor iii
calpain inhibitor III: potential anticataract drug		2.1310
(-)-pinoresinol
(-)-pinoresinol : An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.		2.4420pinoresinolplant metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Cancer of Pancreas
[description not available]		02.0410
Necrosis
The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.		02.0410
Pancreatic Neoplasms
Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).		02.0410
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)		02.0410
Benign Neoplasms
[description not available]		02.0410
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.		02.0410
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.		02.3110
Cancer of Esophagus
[description not available]		02.3110
Esophageal Neoplasms
Tumors or cancer of the ESOPHAGUS.		02.3110
Cancer of Colon
[description not available]		02.2110
Colorectal Cancer
[description not available]		02.2110
Colonic Neoplasms
Tumors or cancer of the COLON.		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
Innate Inflammatory Response
[description not available]		02.0710
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		07.0710