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CHEBI:66328 - tubocapsanolide F
| Formula | C28H38O6 |
| Net Charge | 0 |
| Average Mass | 470.606 |
| Monoisotopic Mass | 470.26684 |
| SMILES | [H][C@@]12C[C@@]3([H])O[C@]34[C@@H](O)C=CC(=O)[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)[C@@]1([H])CC(C)=C(C)C(=O)O1 |
| InChI | InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1 |
| InChIKey | FBVUDUMNPFUQRB-PCLPIYRRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tubocapsicum anomalum (ncbitaxon:180580) | - | PubMed (17417907) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tubocapsanolide F (CHEBI:66328) has role antineoplastic agent (CHEBI:35610) |
| tubocapsanolide F (CHEBI:66328) is a 17α-hydroxy steroid (CHEBI:35342) |
| tubocapsanolide F (CHEBI:66328) is a 4-hydroxy steroid (CHEBI:62846) |
| tubocapsanolide F (CHEBI:66328) is a enone (CHEBI:51689) |
| tubocapsanolide F (CHEBI:66328) is a epoxy steroid (CHEBI:145217) |
| tubocapsanolide F (CHEBI:66328) is a ergostanoid (CHEBI:50403) |
| tubocapsanolide F (CHEBI:66328) is a secondary alcohol (CHEBI:35681) |
| tubocapsanolide F (CHEBI:66328) is a tertiary alcohol (CHEBI:26878) |
| tubocapsanolide F (CHEBI:66328) is a withanolide (CHEBI:74716) |
| tubocapsanolide F (CHEBI:66328) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (4β,5β,6β,22R)-4,17-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione |
| Synonyms | Source |
|---|---|
| 17-hydroxy-27-deoxywithaferin A | ChEBI |
| 5β,6β-epoxy-4β,17α-dihydroxy-1-oxo-witha-2,24-dienolide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11130284 | Reaxys |
| Citations |
|---|