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cleomiscosin A
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

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Name:3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
CAS Number: 76948-72-6Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:2.10 (est)
Molecular Weight:386.35706000
Formula:C20 H18 O8
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 632.70 °C. @ 760.00 mm Hg (est)
Flash Point: 443.00 °F. TCC ( 228.50 °C. ) (est)
logP (o/w): 2.161 (est)
Soluble in:
 water, 543.6 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.
Cleomiscosin A
 
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 cleomiscosin A usage levels up to:
 not for fragrance use.
 
Recommendation for cleomiscosin A 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 :100151
National Institute of Allergy and Infectious Diseases:Data
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Chemidplus:0076948726
 
References:
 3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):100151
Pubchem (sid):135056504
 
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
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
 brucea javanica
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 excoecaria cochinchinensis
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 ginger java ginger
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Synonyms:
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
 

Articles:

PubMed:[Chemical constituents from stems of Brucea mollis and their cytotoxic activity].
PubMed:Chemical constituents of Allophylus longipes.
PubMed:PPARĪ³ agonist from Chromolaena odorata.
PubMed:QSAR, docking and in vitro studies for anti-inflammatory activity of cleomiscosin A methyl ether derivatives.
PubMed:[Chemical constituents of Datura stramonium seeds].
PubMed:Hepatoprotective Effects and Safety Evaluation of Coumarinolignoids Isolated from Cleome viscosa Seeds.
PubMed:Chemical constituents from the roots of Xanthium sibiricum.
PubMed:In silico exploration of anti-inflammatory activity of natural coumarinolignoids.
PubMed:Synthesis and anti-inflammatory activity of derivatives of coumarino-lignoid, cleomiscosin A and its methyl ether.
PubMed:High-performance liquid chromatographic method for identification and quantification of three potent liver protective coumarinolignoids-cleomiscosin A, cleomiscosin B and cleomiscosin C-in extracts of Cleome viscosa.
PubMed:Saponins and a lignan derivative of Terminalia tropophylla from the Madagascar Dry Forest.
PubMed:Study of anti-inflammatory, analgesic and antipyretic activities of seeds of Hyoscyamus niger and isolation of a new coumarinolignan.
PubMed:Repenins A-D, four new antioxidative coumarinolignoids from Duranta repens Linn.
PubMed:Isolation of antibabesial compounds from Brucea javanica, Curcuma xanthorrhiza, and Excoecaria cochinchinensis.
PubMed:Identification and quantification of two antihepatotoxic coumarinolignoids cleomiscosin A and cleomiscosin B in the seeds of Cleome viscosa using liquid chromatography-tandem mass spectrometry.
PubMed:High-performance liquid chromatography and LC-ESI-MS method for the identification and quantification of two biologically active isomeric coumarinolignoids cleomiscosin A and cleomiscosin B in different extracts of Cleome viscosa.
PubMed:New hepatoprotective coumarinolignoids from Mallotus apelta.
PubMed:[Chemical constituents from branch of Macaranga adenantha and their TNF-alpha inhibitory activity].
PubMed:High-performance liquid chromatographic method for identification and quantification of two isomeric coumarinolignoids-cleomiscosin A and cleomiscosin B-in extracts of Cleome viscosa.
PubMed:Rare biscoumarins and a chlorogenic acid derivative from Erycibe obtusifolia.
PubMed:Vasorelaxant effects of Acer nikoense extract and isolated coumarinolignans on rat aortic rings.
PubMed:Chemical constituents from the roots of Homonoia riparia.
PubMed:Antioxidant activity of cleomiscosins A and C isolated from Acer okamotoanum.
PubMed:Isolation of constituents and anti-complement activity from Acer okamotoanum.
PubMed:Hyosgerin, a new optically active coumarinolignan, from the seeds of Hyoscyamus niger.
PubMed:New macrocyclic lathyrane diterpenes, from Euphorbia lagascae, as inhibitors of multidrug resistance of tumour cells.
PubMed:Inhibitory effect of coumarins from Weigela subsessilis on low density lipoprotein oxidation.
PubMed:Tyrosinase inhibitors from Rhododendron collettianum and their structure-activity relationship (SAR) studies.
PubMed:[Studies on chemical constituents of Stelmatocrypton khasianum (Benth.) H. Bail].
PubMed:Coumarins with monoamine oxidase inhibitory activity and antioxidative coumarino-lignans from Hibiscus syriacus.
PubMed:Coumarinolignoids of Mallotus apelta.
PubMed:A lignan and four terpenoids from Brucea javanica that induce differentiation with cultured HL-60 promyelocytic leukemia cells.
PubMed:Antitumor agents, 65. Brusatol and cleomiscosin-A, antileukemic principles from Brucea javanica.
PubMed:Plant anticancer agents XXIX. Cleomiscosin A from Simaba multiflora, Soulamea soulameoides, and Matayba arborescens.
PubMed:Plant anticancer agents XXV. Constituents of Soulamea soulameoides.
PubMed:Plant anticancer agents. XXIV. Alkaloid constituents of Simaba multiflora.
 
Notes:
None found
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