EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isoscopoletin
2H-1-benzopyran-2-one, 6-hydroxy-7-methoxy-

Supplier Sponsors

Name:6-hydroxy-7-methoxychromen-2-one
CAS Number: 776-86-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:212-282-4
FDA UNII: Search
Nikkaji Web:J12.486I
Beilstein Number:157280
MDL:MFCD00016976
XlogP3-AA:1.50 (est)
Molecular Weight:192.17056000
Formula:C10 H8 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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
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: 413.50 °C. @ 760.00 mm Hg (est)
Flash Point: 342.00 °F. TCC ( 172.40 °C. ) (est)
logP (o/w): 0.830 (est)
Soluble in:
 water, 8879 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Isoscopoletin 98%
BOC Sciences
For experimental / research use only.
Isoscopoletin >98%
Odor: characteristic
Use: Isoscopoletin is a natural coumarin found in the herbs of Paederia scandens (Lour.) Merr.
Carbosynth
For experimental / research use only.
isoScopoletin
ExtraSynthese
For experimental / research use only.
isoScopoletin (HPLC) ≥95%
 
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 isoscopoletin usage levels up to:
 not for fragrance use.
 
Recommendation for isoscopoletin 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 :69894
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
6-hydroxy-7-methoxychromen-2-one
Chemidplus:0000776863
 
References:
 6-hydroxy-7-methoxychromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69894
Pubchem (sid):135026360
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C18079
HMDB (The Human Metabolome Database):Search
FooDB:FDB005199
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
 coriander plant
Search Trop Picture
 eggplant root
Search Trop Picture
 
Synonyms:
2H-1-benzopyran-2-one, 6-hydroxy-7-methoxy-
6-hydroxy-7-methoxy-2-benzopyrone
6-hydroxy-7-methoxychromen-2-one
7-methoxyesculetin
 

Articles:

PubMed:Polyphenols from the stems of Morus alba and their inhibitory activity against nitric oxide production by lipopolysaccharide-activated microglia.
PubMed:Galanthamine, an anticholinesterase drug, effects plant growth and development in Artemisia tridentate Nutt. via modulation of auxin and neutrotransmitter signaling.
PubMed:Compounds from Dryopteris fragrans (L.) Schott with cytotoxic activity.
PubMed:Spectroscopic and biological activities studies of bivalent transition metal complexes of Schiff bases derived from condensation of 1,4-phenylenediamine and benzopyrone derivatives.
PubMed:New limonoids and a dihydrobenzofuran norlignan from the roots of Toona sinensis.
PubMed:[Phenolic compounds from Jatropha curcas].
PubMed:Phenols and flavonoids from the aerial part of Euphorbia hirta.
PubMed:Machilusmarin, a new neuroprotective isocoumarin dimer from the stems of Machilus ichangensis Rehd. et Wils.
PubMed:Inhibitory activity of coumarins from Artemisia capillaris against advanced glycation endproduct formation.
PubMed:Cytotoxic fraction from Artemisia sacrorum Ledeb. against three human cancer cell lines and separation and identification of its compounds.
PubMed:Anticancer activity of botanical compounds in ancient fermented beverages (review).
PubMed:Constituents and secondary metabolite natural products in fresh and deteriorated cassava roots.
PubMed:[Studies on the chemical constituents of Scyphiphora hydrophyllacea (II)].
PubMed:[Studies on chemical constituents from herbs of Viola yedoensis].
PubMed:[Studies on chemical constituents of Saussurea laniceps].
PubMed:[Study on chemical constituents in roots and rhizomes of Ligularia duciforms II].
PubMed:Development of a rapid and validated method for investigating the metabolism of scoparone in rat using ultra-performance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry.
PubMed:Constituents, biological activities and quality control parameters of the crude extract and essential oil from Arracacia tolucensis var. multifida.
PubMed:Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti.
PubMed:[Studies on chemical constituents of Paederia scandense].
PubMed:Activity-guided isolation of scopoletin and isoscopoletin, the inhibitory active principles towards CCRF-CEM leukaemia cells and multi-drug resistant CEM/ADR5000 cells, from Artemisia argyi.
PubMed:Production of three O-methhylated esculetins with Escherichia coli expressing O-methyltransferase from poplar.
PubMed:Evaluation of antiviral activity of compounds isolated from Ranunculus sieboldii and Ranunculus sceleratus.
PubMed:[Studies on the chemical constituents in herb of Ranunculus sceleratus].
PubMed:New chemical constituents of Euphorbia quinquecostata and absolute configuration assignment by a convenient Mosher ester procedure carried out in NMR tubes.
PubMed:New coumarins from Pterocaulon polystachyum.
PubMed:Oxidative hydrolysis of scoparone by cytochrome p450 CYP2C29 reveals a novel metabolite.
PubMed:New stilbene carboxylic acid from Convolvulus hystrix.
PubMed:Mono- and sesquiterpenes and antifungal constituents from Artemisia species.
PubMed:Methyltransferase activity in Allanthm altissima cell suspension cultures.
PubMed:Regioselective O-demethylation of scoparone (6,7-dimethoxycoumarin) to assess cytochrome P450 activities in vitro in rat. Effects of gonadal steroids and the involvement of constitutive P450 enzymes.
PubMed:Differences in the effects of model inducers of cytochrome P450 on the biotransformation of scoparone in rat and hamster liver.
PubMed:Scoparone O-demethylase assay is not useful to differentiate the effects of model inducers of cytochrome P-450 in rabbit and guinea pig liver.
PubMed:Biotransformation of scoparone used to monitor changes in cytochrome P450 activities in primary hepatocyte cultures derived from rats, hamsters and monkeys.
PubMed:The sensitizing capacity of coumarins (III).
PubMed:Differentiation of cytochrome P-450 activities with scoparone as substrate. A rapid one-step HPLC-analysis.
PubMed:Regioselective O-demethylation of scoparone: differentiation between rat liver cytochrome P-450 isozymes.
PubMed:Induction of cytochrome P-450 isozymes in liver microsomes of rats treated with the cardiotonic agent sulmazole.
PubMed:O-demethylation of scoparone and studies on the scoparone-induced spectral change of cytochrome P-450 in rat liver microsomes.
PubMed:[6.7-Dihydroxycoumarin (Aesculetin) as a substrate for catechol-o-methyltransferase (author's transl)].
PubMed:Maturation of the adrenal medulla--IV. Effects of morphine.
 
Notes:
None found
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