loading...| Preferred Name |
ingenol mebutate |
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| Synonyms |
3-Ingenyl angelate Ingenol 3-angelate ingenoli mebutas 3-Angeloylingenol C25H34O6 mebutato de ingenol Picato PEP-005 mebutate d'ingenol (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[E][10]annulen-6-yl (2Z)-2-methylbut-2-enoate ingenol mebutate |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_66913 |
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| Definition |
A tetracyclic diterpenoid ester obtained by formal condensation of the carboxy group of (2Z)-2-methylbut-2-enoic (angelic) acid with the 3-hydroxy group of ingenol. Used for the topical treatment of actinic keratosis. |
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| has role | ||
| InChI |
InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1 |
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| InChIKey |
InChIKey=VDJHFHXMUKFKET-UXMMOKKRSA-N |
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| label |
ingenol mebutate |
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| prefixIRI |
obo2:CHEBI_66913 |
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| prefLabel |
ingenol mebutate |
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| SMILES |
[H][C@@]12C=C(CO)[C@@H](O)[C@]3(O)[C@@H](OC(=O)C(\\C)=C/C)C(C)=C[C@]3([C@H](C)C[C@]3([H])[C@@]1([H])C3(C)C)C2=O |
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| Synonym |
3-Ingenyl angelate Ingenol 3-angelate ingenoli mebutas 3-Angeloylingenol C25H34O6 mebutato de ingenol Picato PEP-005 mebutate d'ingenol (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[E][10]annulen-6-yl (2Z)-2-methylbut-2-enoate ingenol mebutate |
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| xref |
CiteXplore:20725548 CiteXplore:21325841 CiteXplore:22358305 CiteXplore:22055282 KEGG DRUG:D09393 CiteXplore:22417254 CiteXplore:19467365 Reaxys:6452385 Wikipedia:Ingenol_mebutate CiteXplore:21375515 CASRN:75567-37-2 CiteXplore:20546215 CiteXplore:22189786 CiteXplore:21386954 CiteXplore:22202647 CiteXplore:22956883 CiteXplore:22828167 CiteXplore:22538622 CiteXplore:19178487 CiteXplore:22618984 |
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| subClassOf |