Compounds > simplexin
Page last updated: 2024-11-07

simplexin

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

Description

simplexin: toxin from Pimelea simplex (desert rice flower); associated with outbreaks of St. George Disease; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

FloraRankFlora DefinitionFamilyFamily Definition
Pimelea simplexspecies[no description available]ThymelaeaceaeA plant family of the order Myrtales, subclass Rosidae, class Magnoliopsida. They are mainly trees and shrubs. Many members contain mucilage and COUMARINS.[MeSH]
Pimelea simplexspecies[no description available]ThymelaeaceaeA plant family of the order Myrtales, subclass Rosidae, class Magnoliopsida. They are mainly trees and shrubs. Many members contain mucilage and COUMARINS.[MeSH]

Cross-References

ID SourceID
PubMed CID119045
CHEMBL ID444290
CHEBI ID70548
MeSH IDM0057153
PubMed CID118701321
MeSH IDM0057153

Synonyms (17)

Synonym
6h-2,8b-epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-, (2s,3ar,3bs,3cs,4ar,5s,5as,8ar,8br,9r,10ar)-
ccris 707
brn 1673551
1404-62-2
CHEMBL444290
9qz71fi0lo ,
wikstrotoxin d
unii-9qz71fi0lo
CHEBI:70548
(2s,3ar,3bs,3cs,4ar,5s,5as,8ar,8br,9r,10ar)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-nonyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6h-2,8b-epoxyoxireno(6,7)azuleno(5,4-e)(1,3)benzodioxol-6-one
j37.161k ,
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-9,13,15,19-tetraoxahexacyclo(12.4.1.01,11.0(sup 2,6).0(sup 8,10).0(sup 12,16))nonadec-3-en-5-one
Q27272908
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
simplexin
C09185 ,
AC1L9C8B ,

Research Excerpts

Toxicity

ExcerptReferenceRelevance
" Roots, flowers and seeds are significantly more toxic than the stem, branches and leaves."( An acute case of Pimelea elongata toxicity in cattle in western New South Wales.
Cavanagh, C; Dominiak, BC; Fraser, C; Parry, S, 2023)		0.91
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (27)

Assay IDTitleYearJournalArticle
AID339030Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as survival rate at 20 nmol twice weekly measured after 24 weeks
AID745224Cytotoxicity against human HeLa cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID339027Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as average tumor yeild at 10 nmol twice weekly measured after 24 weeks
AID401152Antitumor activity against mouse P388 cells1997Geriatrics, Sep, Volume: 52, Issue:9
Geriatrics photo quiz. Thoracic aortic aneurysm.
AID339012Skin irritant activity in NMRI mouse ear assessed as irritant dose 50 per ear after 24 hrs
AID339019Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as tumor rate at 10 nmol twice weekly measured after 24 weeks
AID339014Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as tumor rate at 20 nmol twice weekly measured after 12 weeks
AID339023Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as average tumor yeild at 10 nmol twice weekly measured after 12 weeks
AID745223Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID745219Cytotoxicity against human A375-S2 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID339013Skin irritant activity in NMRI mouse ear assessed as irritancy after 24 hrs
AID1179935Cytotoxicity against human A549 cells after 72 hrs by SRB assay2014Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15
Topoisomerase II inhibitors from the roots of Stellera chamaejasme L.
AID339031Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as survival rate at 10 nmol twice weekly measured after 24 weeks
AID1265601Cytotoxicity against human MT4 cells by cellTiterGlo assay2015Journal of natural products, Nov-25, Volume: 78, Issue:11
Stelleralides D-J and Anti-HIV Daphnane Diterpenes from Stellera chamaejasme.
AID745221Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID339022Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as average tumor yeild at 20 nmol twice weekly measured after 12 weeks
AID745222Cytotoxicity against human A549 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID745217Cytotoxicity against human U937 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID745220Cytotoxicity against human HT1080 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID745225Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID745216Cytotoxicity against human K562 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID339018Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as tumor rate at 20 nmol twice weekly measured after 24 weeks
AID339026Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as average tumor yeild at 20 nmol twice weekly measured after 24 weeks
AID745218Cytotoxicity against human HL60 cells after 48 hrs by MTT assay2013Bioorganic & medicinal chemistry letters, May-01, Volume: 23, Issue:9
Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa.
AID1265602Selectivity index, ratio of CC50 for human MT4 cells to EC50 for HIV-1 NL4-3 infected in MT4 cells2015Journal of natural products, Nov-25, Volume: 78, Issue:11
Stelleralides D-J and Anti-HIV Daphnane Diterpenes from Stellera chamaejasme.
AID339015Tumor promoting activity of DMBA-initiated tumor in back skin of NMRI mouse assessed as tumor rate at 10 nmol twice weekly measured after 12 weeks
AID1265600Antiviral activity against HIV-1 NL4-3 infected in MT4 cells assessed as viral replication measured on day 4 post infection by ELISA2015Journal of natural products, Nov-25, Volume: 78, Issue:11
Stelleralides D-J and Anti-HIV Daphnane Diterpenes from Stellera chamaejasme.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (15)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (6.67)18.7374
1990's1 (6.67)18.2507
2000's0 (0.00)29.6817
2010's9 (60.00)24.3611
2020's4 (26.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 20.16

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 Index20.16 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index15.26 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (20.16)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Reviews1 (9.09%)6.00%
Case Studies1 (20.00%)4.05%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Observational0 (0.00%)0.25%
Other4 (80.00%)84.16%
Other10 (90.91%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
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.		2.0810nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
zidovudine
Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.		2.1110azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
etoposide
[no description available]		2.110beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
yuanhuadine
[no description available]		2.0810diterpenoidmetabolite
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.		2.1110alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
mezerein
mezerein: toxic component of plant Daphne mezereum with anti-leukemic activity against P-388 & P-1210 in mice; can act as a tumor promoter; RN given refers to (12beta(E,E))-isomer; structure		2.7830diterpenoid
bacilysin
bacilysin: structure. bacilysin : A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond.		2.0510
eunicellin
eunicellin: structure in first source		7.0710
tyrocidine
Tyrocidine: An antibiotic mixture produced by Bacillus brevis which may be separated into three components, tyrocidines A, B, and C. It is the major constituent (40-60 per cent) of tyrothricin, gramicidin accounting for the remaining 10-20 per cent active material. It is a topical antimicrobial agent, that is very toxic parenterally.. tyrocidine A : A homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Phe, D-Phe, L-Asn, L-Gln, L-Tyr, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail.. tyrocidine : A mixtue of homodetic cyclic decapeptides produced by the soil bacterium Bacillus brevis.		2.0510homodetic cyclic peptide;
macrocycle;
peptide antibiotic		antibacterial agent;
bacterial metabolite
subtilin
subtilin: a linear type A lantibiotic; peptide produced by Bacillus subtilis; structure given in first source		2.0510
gramicidin a
Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.		2.0510
ConditionIndicatedRelationship StrengthStudiesTrials
Aneurysm, Thoracic Aortic
[description not available]		01.9910
Aortic Dissection
[description not available]		01.9910
Aortitis, Syphilitic
[description not available]		01.9910
Aortic Aneurysm, Thoracic
An abnormal balloon- or sac-like dilatation in the wall of the THORACIC AORTA. This proximal descending portion of aorta gives rise to the visceral and the parietal branches above the aortic hiatus at the diaphragm.		01.9910
Bovine Diseases
[description not available]		03.9840
Plant Poisoning
Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.		03.7130
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)		02.3110