panaxytriol
1-heptadecene-4,6-diyne-3,9,10-triol
 
Notes:
from panax ginseng. Found in ginseng
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      Product(s):
      87005-03-6 heptadec-1-en-4,6-diyne-3,9,10-triol
       
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CAS Number: 87005-03-6Picture of molecule3D/inchi
Nikkaji Web: J38.610C
XlogP3-AA: 3.50 (est)
Molecular Weight: 278.39182000
Formula: C17 H26 O3
NMR Predictor: Predict (works with chrome 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
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 474.81 °C. @ 760.00 mm Hg (est)
Flash Point: 426.00 °F. TCC ( 219.00 °C. ) (est)
logP (o/w): 4.218 (est)
Soluble in:
 water, 18.61 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
heptadec-1-en-4,6-diyne-3,9,10-triol
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for panaxytriol usage levels up to:
 not for fragrance use.
 
Recommendation for panaxytriol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 93484
National Institute of Allergy and Infectious Diseases: Data
 heptadec-1-en-4,6-diyne-3,9,10-triol
Chemidplus: 0087005036
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References:
 heptadec-1-en-4,6-diyne-3,9,10-triol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 93484
Pubchem (sid): 135051864
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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
KEGG (GenomeNet): C16792
HMDB (The Human Metabolome Database): HMDB31928
FooDB: FDB008616
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 ginseng
Search Trop  Picture
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Synonyms:
 heptadec-1-en-4,6-diyne-3,9,10-triol
1-heptadecene-4,6-diyne-3,9,10-triol
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Articles:
PubMed: Network pharmacology analyses of the antithrombotic pharmacological mechanism of Fufang Xueshuantong Capsule with experimental support using disseminated intravascular coagulation rats.
PubMed: Direct and comprehensive analysis of ginsenosides and diterpene alkaloids in Shenfu injection by combinatory liquid chromatography-mass spectrometric techniques.
PubMed: [Chemical constituents from stems of Cistanche deserticola cultured in Tarim desert].
PubMed: Identification of the active components in Shenmai injection that differentially affect Cyp3a4-mediated 1'-hydroxylation and 4-hydroxylation of midazolam.
PubMed: Multifaceted cytoprotection by synthetic polyacetylenes inspired by the ginseng-derived natural product, panaxytriol.
PubMed: (3R, 9R, 10R)-Panaxytriol: A molecular-based nutraceutical with possible application to cancer prevention and treatment.
PubMed: Induction of chemoprotective phase 2 enzymes by ginseng and its components.
PubMed: Imaging induction of cytoprotective enzymes in intact human cells: coumberone, a metabolic reporter for human AKR1C enzymes reveals activation by panaxytriol, an active component of red ginseng.
PubMed: Polyacetylenes from the roots of cultivated-wild ginseng and their cytotoxicity in vitro.
PubMed: Total synthesis of (3R,9R,10R)-panaxytriol via tandem metathesis and metallotropic [1,3]-shift as a key step.
PubMed: Total synthesis as a resource in drug discovery: the first in vivo evaluation of panaxytriol and its derivatives.
PubMed: Straightforward synthesis of panaxytriol: an active component of Red Ginseng.
PubMed: Chemoenzymatic asymmetric total syntheses of antitumor agents (3R,9R,10R)- and (3S,9R,10R)-Panaxytriol and (R)- and (S)-Falcarinol from Panax ginseng using an enantioconvergent enzyme-triggered cascade reaction.
PubMed: Gymnasterkoreaynes A-F, cytotoxic polyacetylenes from Gymnaster koraiensis.
PubMed: Inhibitory effect of tumor cell proliferation and induction of G2/M cell cycle arrest by panaxytriol.
PubMed: Absolute structure of panaxytriol.
PubMed: In vitro anti-Helicobacter pylori activity of panaxytriol isolated from ginseng.
PubMed: Inducible nitric oxide synthase inhibitors from Saposhnikovia divaricata and Panax quinquefolium.
PubMed: Antiproliferative constituents in Umbelliferae plants II. Screening for polyacetylenes in some Umbelliferae plants, and isolation of panaxynol and falcarindiol from the root of Heracleum moellendorffii.
PubMed: Polyacetylene analogs, isolated from hairy roots of Panax ginseng, inhibit Acyl-CoA : cholesterol acyltransferase.
PubMed: [Polyacetylene compounds from Panax notoginsenoside].
PubMed: Screening of polyacetylenic alcohols in crude drugs using the ELISA for panaxytriol.
PubMed: A possible mechanism for the cytotoxicity of a polyacetylenic alcohol, panaxytriol: inhibition of mitochondrial respiration.
PubMed: A highly sensitive enzyme-linked immunosorbent assay (ELISA) for antitumor polyacetylenic alcohol, panaxytriol.
PubMed: Potentiation of cytotoxicity of mitomycin C by a polyacetylenic alcohol, panaxytriol.
PubMed: The first specific antibody against cytotoxic polyacetylenic alcohol, panaxynol.
PubMed: [Thin layer chromatography and extractive technology of Panax japonicum C.A. Mey. var. major (Burk.) C. Y. Wu et K. M. Feng growing in Qingba Mountain Area].
PubMed: Cytotoxic activity of polyacetylene compounds in Panax ginseng C. A. Meyer.
PubMed: [Cell growth inhibitory substance isolated from Panax ginseng root: panaxytriol].
PubMed: Determination of panaxytriol, a new type of tumour growth inhibitor from Panax ginseng, by capillary gas chromatography.
PubMed: Studies on the panaxytriol of Panax ginseng C. A. Meyer. Isolation, determination and antitumor activity.
PubMed: [A tumor inhibitory substance from panax ginseng].
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