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CHEBI:5371 - glaucarubinone
| Formula | C25H34O10 |
| Net Charge | 0 |
| Average Mass | 494.537 |
| Monoisotopic Mass | 494.21520 |
| SMILES | [H][C@@]12[C@@H](OC(=O)[C@@](C)(O)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@]4([H])[C@]13CO[C@@]4(O)[C@H](O)[C@@H]2C |
| InChI | InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1 |
| InChIKey | WRBGCYVAJRRQKP-STDAJNJZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ailanthus altissimus (ncbitaxon:2768810) | - | PubMed (29953225) | Isolated from the samara. |
| Ailanthus excelsus (ncbitaxon:1133704) | |||
| bark (BTO:0001301) | PubMed (12560029) | Isolated from stem bark. | |
| bark (BTO:0001301) | PubMed (600027) | Isolated form root bark. | |
| Nothospondias staudtii (ncbitaxon:459131) | - | PubMed (21733691) | |
| Odyendyea gabonensis (ncbitaxon:459133) | bark (BTO:0001301) | PubMed (17340307) | Isolated from stem bark. |
| Simarouba amara (ncbitaxon:101569) | - | PubMed (720499) | |
| Simarouba glauca (ncbitaxon:43729) | Root (BTO:0001188) | PubMed (26178388) | |
| Simarouba versicolor (ncbitaxon:459157) | |||
| bark (BTO:0001301) | PubMed (19501276) | Isolated form root bark. | |
| - | PubMed (895397) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| Applications: | geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glaucarubinone (CHEBI:5371) has role antimalarial (CHEBI:38068) |
| glaucarubinone (CHEBI:5371) has role antineoplastic agent (CHEBI:35610) |
| glaucarubinone (CHEBI:5371) has role geroprotector (CHEBI:176497) |
| glaucarubinone (CHEBI:5371) has role plant metabolite (CHEBI:76924) |
| glaucarubinone (CHEBI:5371) is a carboxylic ester (CHEBI:33308) |
| glaucarubinone (CHEBI:5371) is a organic heteropentacyclic compound (CHEBI:38164) |
| glaucarubinone (CHEBI:5371) is a quassinoid (CHEBI:72485) |
| glaucarubinone (CHEBI:5371) is a secondary α-hydroxy ketone (CHEBI:2468) |
| glaucarubinone (CHEBI:5371) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| glaucarubinone (CHEBI:5371) is a tetrol (CHEBI:33573) |
| IUPAC Name |
|---|
| 1β,11α,12α-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15β-yl (2S)-2-hydroxy-2-methylbutanoate |
| Synonym | Source |
|---|---|
| (+)-glaucarubinone | ChEBI |
| Citations |
|---|