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

rotundic acid

Supplier Sponsors

CAS Number: 20137-37-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J15.541A
XlogP3-AA:5.30 (est)
Molecular Weight:488.70856000
Formula:C30 H48 O5
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
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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
Soluble in:
 water, 0.05579 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.
Rotundic acid 98%
BOC Sciences
For experimental / research use only.
Ilexolic acid A >98%
Odor: characteristic
Use: Source from leaves of Ilex pubescens Hook. et Arn. It exhibits potent tumor cell growth inhibiting properties. anti-thrombosis effect
 
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 rotundic acid usage levels up to:
 not for fragrance use.
 
Recommendation for rotundic acid 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 :12315075
National Institute of Allergy and Infectious Diseases:Data
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Chemidplus:0020137375
 
References:
 (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12315075
Pubchem (cas):20137-37-5
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB013704
VCF-Online:VCF Volatile Compounds in Food
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 eugenia jambolana seed
Search Trop Picture
 ilex paraguariensis
Search Trop Picture
 melissa officinalis
Search Trop Picture
 mussaenda pubescens
Search Trop Picture
 
Synonyms:
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
(3beta,4alpha)-3,19,23-trihydroxyurs-12-en-28-oic acid
 urs-12-en-28-oic acid, 3,19,23-trihydroxy-, (3beta,4alpha)-
 

Articles:

PubMed:Identification of rotundic acid metabolites after oral administration to rats and comparison with the biotransformation by Syncephalastrum racemosum AS 3.264.
PubMed:Antibacterial activities of chemical constituents from the aerial parts of Hedyotis pilulifera.
PubMed:In silico Evidence for Binding of Pentacyclic Triterpenoids to Keap1-Nrf2 Protein-Protein Binding Site.
PubMed:Design, synthesis and evaluation of antitumor activity of new rotundic acid acylhydrazone derivatives.
PubMed:Apoptotic Effects of Rotundic Acid on Human Esophagus and Lung Cancer Cells.
PubMed:Chemical constituents of Eugenia catharinae and their antioxidant activity.
PubMed:Anti-Diabetic Effects of Madecassic Acid and Rotundic Acid.
PubMed:Triterpenes from the stem bark of Mitragyna diversifolia and their cytotoxic activity.
PubMed:[Chemical constituents from the root of Ilex cornuta].
PubMed:Design, synthesis and cytotoxicity of cell death mechanism of rotundic acid derivatives.
PubMed:Novel rotundic acid derivatives: synthesis, structural characterization and in vitro antitumor activity.
PubMed:[Non-anthraquinones constituents from the roots of Knoxia valerianoides].
PubMed:Synthesis, characterization and cytotoxicity of new rotundic acid derivatives.
PubMed:[Triterpenes and sterols from Nauclea latifolia].
PubMed:Chemical constituents of the leaves of Glochidion obliquum and their bioactivity.
PubMed:Production of triterpene acids by cell suspension cultures of Olea europaea.
PubMed:Triterpene saponins from Randia formosa.
PubMed:Activity of triterpenoid glycosides from the root bark of Mussaenda macrophylla against two oral pathogens.
PubMed:Antimicrobial triterpenes from Ilex integra and the mechanism of antifungal action.
PubMed:[Studies on constituents of Ilex chinensis Sims].
 
Notes:
None found
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