Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H38N2O4.2BrH.7H2O |
| Molecular Weight | 754.543 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.Br.Br.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]4NCCC5=CC(O)=C(OC)C=C45
InChI
InChIKey=LIPXYIGUEVAKHO-PUJYRUHLSA-N
InChI=1S/C28H38N2O4.2BrH.7H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;;;;;;;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H;7*1H2/t17-,20-,23+,24-;;;;;;;;;/m0........./s1
| Molecular Formula | C28H38N2O4 |
| Molecular Weight | 466.6123 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Is a metabolic enzyme complex involved in the efficient and accurate control of Ipecac alkaloid biosynthesis in Psychotria ipecacuanha? | 2010-07 |
|
| Cell-based and cytokine-directed chemical screen to identify potential anti-multiple myeloma agents. | 2010-07 |
|
| Molecular phylogeography of Carapichea ipecacuanha, an amphitropical shrub that occurs in the understory of both semideciduous and evergreen forests. | 2010-04 |
|
| Three new O-methyltransferases are sufficient for all O-methylation reactions of ipecac alkaloid biosynthesis in root culture of Psychotria ipecacuanha. | 2010-03-05 |
|
| Clonal diversity and conservation genetics of the medicinal plant Carapichea ipecacuanha (Rubiaceae). | 2010-01 |
|
| Biochemistry and occurrence of o-demethylation in plant metabolism. | 2010 |
|
| The new beta-D-glucosidase in terpenoid-isoquinoline alkaloid biosynthesis in Psychotria ipecacuanha. | 2008-12-12 |
|
| Ipecacuanha: the South American vomiting root. | 2008-12 |
|
| Transformation of ipecac (Cephaelis ipecacuanha) with Agrobacterium rhizogenes. | 2003-11 |
|
| Antiparasitic alkaloids from Psychotria klugii. | 2003-07 |
|
| Urinary excretion of ipecac alkaloids in human volunteers. | 2002-10 |
|
| Studies for the emetic mechanisms of ipecac syrup (TJN-119) and its active components in ferrets: involvement of 5-hydroxytryptamine receptors. | 2002-06 |
|
| Biotransformation of the ipecac alkaloids cephaeline and emetine from ipecac syrup in rats. | 2002-05-09 |
|
| Absorption, distribution and excretion of 3H-labeled cephaeline- and emetine-spiked ipecac syrup in rats. | 2002-05-09 |
|
| High-performance liquid chromatographic assay with fluorescence detection for the determination of cephaeline and emetine in human plasma and urine. | 2001-06-15 |
|
| Metabolism of ipecac alkaloids cephaeline and emetine by human hepatic microsomal cytochrome P450s, and their inhibitory effects on P450 enzyme activities. | 2001-06 |
|
| HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products. | 1992-05-29 |
|
| Psychotrine and its O-methyl ether are selective inhibitors of human immunodeficiency virus-1 reverse transcriptase. | 1991-12-15 |
|
| Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. | 1991-01-01 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:34:51 GMT 2025
by
admin
on
Mon Mar 31 21:34:51 GMT 2025
|
| Record UNII |
9Z7S0Z316G
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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Common Name | English | ||
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m3243
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PRIMARY | Merck Index | ||
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9Z7S0Z316G
Created by
admin on Mon Mar 31 21:34:51 GMT 2025 , Edited by admin on Mon Mar 31 21:34:51 GMT 2025
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76958552
Created by
admin on Mon Mar 31 21:34:51 GMT 2025 , Edited by admin on Mon Mar 31 21:34:51 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
