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CHEBI:66352 - vedelianin
| Formula | C29H36O6 |
| Net Charge | 0 |
| Average Mass | 480.601 |
| Monoisotopic Mass | 480.25119 |
| SMILES | [H][C@]12Cc3cc(/C=C/c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C |
| InChI | InChI=1S/C29H36O6/c1-16(2)6-9-20-21(30)11-18(12-22(20)31)8-7-17-10-19-14-25-28(3,4)27(34)24(33)15-29(25,5)35-26(19)23(32)13-17/h6-8,10-13,24-25,27,30-34H,9,14-15H2,1-5H3/b8-7+/t24-,25-,27-,29-/m1/s1 |
| InChIKey | OYMAGMAEFPAAGU-HKYLTJPLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Macaranga alnifolia (ncbitaxon:396448) | |||
| fruit (BTO:0000486) | PubMed (17326683) | ||
| leaf (BTO:0000713) | DOI (10.1016/0031-9422(92)80315-6) |
| 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) |
| vedelianin (CHEBI:66352) has role antineoplastic agent (CHEBI:35610) |
| vedelianin (CHEBI:66352) has role plant metabolite (CHEBI:76924) |
| vedelianin (CHEBI:66352) is a cyclic ether (CHEBI:37407) |
| vedelianin (CHEBI:66352) is a organic heterotricyclic compound (CHEBI:26979) |
| vedelianin (CHEBI:66352) is a resorcinols (CHEBI:33572) |
| vedelianin (CHEBI:66352) is a stilbenoid (CHEBI:26776) |
| Incoming Relation(s) |
| schweinfurthin E (CHEBI:66435) has functional parent vedelianin (CHEBI:66352) |
| schweinfurthin G (CHEBI:66437) has functional parent vedelianin (CHEBI:66352) |
| IUPAC Name |
|---|
| (2S,3R,4aR,9aR)-7-{(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol |
| Synonyms | Source |
|---|---|
| 2α,3α-dihydroxy-7-(6'-isoprenyl-5',7'-dihydroxystyryl)1,1-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene | ChEBI |
| (+)-vedelianin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5461088 | Reaxys |
| Citations |
|---|