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jacaranone
2,5-cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, methyl ester

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Name:methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
CAS Number: 60263-07-2Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J601.244B
XlogP3-AA:0.20 (est)
Molecular Weight:182.17550000
Formula:C9 H10 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 327.10 °C. @ 760.00 mm Hg (est)
Flash Point: 271.00 °F. TCC ( 132.50 °C. ) (est)
logP (o/w): -0.250 (est)
Soluble in:
 water, 5.227e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for jacaranone usage levels up to:
 not for fragrance use.
 
Recommendation for jacaranone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :73307
National Institute of Allergy and Infectious Diseases:Data
methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Chemidplus:0060263072
 
References:
 methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):73307
Pubchem (sid):135030425
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 jacaranda acutifolia leaf
Search Trop Picture
 
Synonyms:
2,5-cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, methyl ester
1-hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid methyl ester
 jacaramome
 methyl (1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)acetate
 methyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
 methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
 methyl-1-hydroxy-4-oxo-2,5-chclohexadiene-1-acetate
 

Articles:

PubMed:Two new glycosides from the fruits of Forsythia suspense.
PubMed:A new phenylethanoid glucoside from Jacaranda mimosifolia.
PubMed:Jacaranone induces apoptosis in melanoma cells via ROS-mediated downregulation of Akt and p38 MAPK activation and displays antitumor activity in vivo.
PubMed:Differential tissue distribution of metabolites in Jacobaea vulgaris, Jacobaea aquatica and their crosses.
PubMed:Authentication of Senecio scandens and S. vulgaris based on the comprehensive secondary metabolic patterns gained by UPLC-DAD/ESI-MS.
PubMed:Anti-malarial, anti-trypanosomal, and anti-leishmanial activities of jacaranone isolated from Pentacalia desiderabilis (Vell.) Cuatrec. (Asteraceae).
PubMed:[Chemical constituents from Aster sampsonii].
PubMed:Jacaranone-derived glucosidic esters from Jacaranda glabra and their activity against Plasmodium falciparum.
PubMed:A new jacaranone derivative from Senecio scandens var. incisus.
PubMed:Isolation of jacaranone, a sedative constituent extracted from the flowers of the Mexican tree Ternstroemia pringlei.
PubMed:Fast counter current chromatography of n-butanolic fraction from Senecio giganteus (Asteraceae).
PubMed:Jacaranone analogs from Senecio scandens.
PubMed:NMR metabolomics of thrips (Frankliniella occidentalis) resistance in Senecio hybrids.
PubMed:Jacaranda--an ethnopharmacological and phytochemical review.
PubMed:A new compound from Senecio cannabifolius var integrilifolius.
PubMed:Jacaranone: a cytotoxic constituent from Senecio ambiguus subsp. ambiguus (biv.) DC. against renal adenocarcinoma ACHN and prostate carcinoma LNCaP cells.
PubMed:Jacaranone glycosides from Senecio scandens.
PubMed:Jacaranone and related compounds from the fresh fruits of Ternstroemia japonica and their antioxidative activity.
PubMed:In-vitro antiproliferative effects on human tumour cell lines of extracts and jacaranone from Senecio leucanthemifolius Poiret.
PubMed:Insecticides in Chinese medicinal plants: survey leading to jacaranone, a neurotoxicant and glutathione-reactive quinol.
PubMed:Secondary metabolites from Senecio minutus and Senecio boissieri: a new jacaranone derivative.
PubMed:Synthesis of naphthoquinoles as potential antitumor agents related to jacaranone.
PubMed:Potential anticancer agents. IV. Constituents of Jacaranda caucana Pittier (Bignoniaceae).
PubMed:Potential anticancer agents. III. Jacaranone, a novel phytoquinoid from Jacaranda caucana.
 
Notes:
sedative.
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