Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=C2[C@@H](O)CCN2C=C1
InChI
InChIKey=QFPRRXUPCPFWKD-ZETCQYMHSA-N
InChI=1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,4-5H2/t7-/m0/s1
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Metabolism, genotoxicity, and carcinogenicity of comfrey. | 2010-10 |
|
| Comfrey (Symphytum Officinale. l.) and Experimental Hepatic Carcinogenesis: A Short-term Carcinogenesis Model Study. | 2010-06 |
|
| High-performance liquid chromatography electrospray ionization tandem mass spectrometry for the detection and quantitation of pyrrolizidine alkaloid-derived DNA adducts in vitro and in vivo. | 2010-03-15 |
|
| Final report on carcinogens background document for riddelliine. | 2008-08 |
|
| Formation of DHP-derived DNA adducts from metabolic activation of the prototype heliotridine-type pyrrolizidine alkaloid, heliotrine. | 2008-05-05 |
|
| Metabolic activation of retronecine and retronecine N-oxide - formation of DHP-derived DNA adducts. | 2008-04 |
|
| Formation of DHP-derived DNA adducts in vivo from dietary supplements and chinese herbal plant extracts containing carcinogenic pyrrolizidine alkaloids. | 2006-09 |
|
| Formation of DHP-derived DNA adducts from metabolic activation of the prototype heliotridine-type pyrrolizidine alkaloid, lasiocarpine. | 2006-01-08 |
|
| Metabolic activation of the tumorigenic pyrrolizidine alkaloid, monocrotaline, leading to DNA adduct formation in vivo. | 2005-08-08 |
|
| Human liver microsomal reduction of pyrrolizidine alkaloid N-oxides to form the corresponding carcinogenic parent alkaloid. | 2005-03-15 |
|
| Comparison of hepatic in vitro metabolism of the pyrrolizidine alkaloid senecionine in sheep and cattle. | 2004-11 |
|
| Differential metabolism of the pyrrolizidine alkaloid, senecionine, in Fischer 344 and Sprague-Dawley rats. | 2004-05 |
|
| Metabolic formation of DHP-derived DNA adducts from a representative otonecine type pyrrolizidine alkaloid clivorine and the extract of Ligularia hodgsonnii hook. | 2004-05 |
|
| Riddelliine N-oxide is a phytochemical and mammalian metabolite with genotoxic activity that is comparable to the parent pyrrolizidine alkaloid riddelliine. | 2003-12-10 |
|
| Identification of DNA adducts derived from riddelliine, a carcinogenic pyrrolizidine alkaloid. | 2003-09 |
|
| Human liver microsomal metabolism and DNA adduct formation of the tumorigenic pyrrolizidine alkaloid, riddelliine. | 2003-01 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:49:13 GMT 2025
by
admin
on
Mon Mar 31 22:49:13 GMT 2025
|
| Record UNII |
EGL727L56R
|
| Record Status |
Validated (UNII)
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| Record Version |
|
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