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

rottlerin
acetophenone, 3'-((8-cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-

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Name:(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
CAS Number: 82-08-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-395-4
FDA UNII: E29LP3ZMUH
Nikkaji Web:J9.828K
Beilstein Number:0070757
MDL:MFCD00017361
XlogP3-AA:5.90 (est)
Molecular Weight:516.54676000
Formula:C30 H28 O8
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: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
Melting Point: 212.00 °C. @ 760.00 mm Hg
Boiling Point: 800.40 °C. @ 760.00 mm Hg (est)
Flash Point: 511.00 °F. TCC ( 266.00 °C. ) (est)
logP (o/w): 8.660 (est)
Soluble in:
 water, 0.0008372 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.
Rottlerin
Odor: characteristic
Use: Rottlerin, a principal phenolic compound of the Kamala plant Mallotus philippi
EMD Millipore
For experimental / research use only.
Rottlerin
sds
ExtraSynthese
For experimental / research use only.
Rottlerin
Santa Cruz Biotechnology
For experimental / research use only.
Rottlerin 98%
Sigma-Aldrich: Sigma
For experimental / research use only.
Rottlerin ≥85%
sds
 
Safety Information:
Preferred SDS: View
 
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:
oral-rat LDLo 750 mg/kg
Indian Journal of Physiology and Pharmacology. Vol. 3, Pg. 168, 1959.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for rottlerin usage levels up to:
 not for fragrance use.
 
Recommendation for rottlerin 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 :5281847
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
Chemidplus:0000082086
RTECS:AM6913800 for cas# 82-08-6
 
References:
 (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5281847
Pubchem (sid):134970594
 
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):C10721
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetophenone, 3'-((8-cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-
(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
 kamalin
 mallotoxin
 

Articles:

PubMed:Effect of pollen from Typha angustata on hydrogen peroxide induced toxicity in osteoblastic MC3T3-E1 cells.
PubMed:Inhibition of acrolein-stimulated MUC5AC expression by Platycodon grandiflorum root-derived saponin in A549 cells.
PubMed:Chlorpromazine attenuates pancreatic beta-cell function and mass through IRS2 degradation, while exercise partially reverses the attenuation.
PubMed:Immunological actions of Sophy beta-glucan (beta-1,3-1,6 glucan), currently available commercially as a health food supplement.
PubMed:Characterization of an ATP-dependent pathway of activation for the heterocyclic amine carcinogen N-hydroxy-2-amino-3-methylimidazo[4, 5-f]quinoline.
 
Notes:
an angiogenesis inhibitor; inhibitor of protein kinase cdelta (pkcdelta) and calmodulin kinase iii; do not confuse this chalcone with an anthraquinone that is also called rottlerin (rn 481-72-1).
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