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CHEBI:66838 - 7-oxo-10α-cucurbitadienol
| Formula | C30H48O2 |
| Net Charge | 0 |
| Average Mass | 440.712 |
| Monoisotopic Mass | 440.36543 |
| SMILES | [H][C@@]12C(=O)C=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C |
| InChI | InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-14-15-30(8)26-24(31)18-23-22(12-13-25(32)27(23,4)5)28(26,6)16-17-29(21,30)7/h10,18,20-22,25-26,32H,9,11-17H2,1-8H3/t20-,21-,22-,25+,26-,28+,29-,30+/m1/s1 |
| InChIKey | WPHOBDITIAIXKJ-MVAYMFADSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichosanthes kirilowii (ncbitaxon:3677) | seed (BTO:0001226) | DOI (10.1016/S0031-9422(00)97029-8) |
| 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: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) has functional parent cucurbitadienol (CHEBI:62456) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) has parent hydride cucurbitane (CHEBI:73245) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) has role anti-inflammatory agent (CHEBI:67079) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) has role metabolite (CHEBI:25212) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) is a cyclic terpene ketone (CHEBI:36130) |
| 7-oxo-10α-cucurbitadienol (CHEBI:66838) is a tetracyclic triterpenoid (CHEBI:26893) |
| IUPAC Name |
|---|
| (1S,4S,9β)-1-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-7-one |
| Synonym | Source |
|---|---|
| 7-oxo-10aα-cucurbita-5,24-dien-3β-ol | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6824760 | Reaxys |