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CHEBI:65881 - 3-epi-heliangin
| Formula | C20H26O6 |
| Net Charge | 0 |
| Average Mass | 362.422 |
| Monoisotopic Mass | 362.17294 |
| SMILES | [H][C@@]12/C=C(\C)[C@H](O)C[C@@]3([H])O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7+/t13-,14-,15-,16-,17+,20-/m1/s1 |
| InChIKey | DZTWAOVNNLDWNH-DRCJWTCISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Eupatorium kiirunense (IPNI:1009045-1) | - | PubMed (15921421) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-epi-heliangin (CHEBI:65881) has functional parent tiglic acid (CHEBI:9592) |
| 3-epi-heliangin (CHEBI:65881) has role antineoplastic agent (CHEBI:35610) |
| 3-epi-heliangin (CHEBI:65881) has role metabolite (CHEBI:25212) |
| 3-epi-heliangin (CHEBI:65881) is a enoate ester (CHEBI:51702) |
| 3-epi-heliangin (CHEBI:65881) is a epoxide (CHEBI:32955) |
| 3-epi-heliangin (CHEBI:65881) is a sesquiterpene lactone (CHEBI:37667) |
| IUPAC Name |
|---|
| (1aR,3R,4E,5aR,8aR,9R,10aR)-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-methylbut-2-enoate |
| Synonyms | Source |
|---|---|
| 8β-tigloyloxy-3α-hydroxy-1α,10-epoxy-6βH,7αH-helianga-4Z,11(13)-dien-6,12-olide | ChEBI |
| 10-epoxy-6βH,7αH-helianga-4Z,11(13)-dien-6,12-olide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11258336 | Reaxys |
| Citations |
|---|