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CHEBI:132345 - canophyllal
| Formula | C30H48O2 |
| Net Charge | 0 |
| Average Mass | 440.712 |
| Monoisotopic Mass | 440.36543 |
| SMILES | [H]C(=O)[C@]12CCC(C)(C)C[C@@]1([H])[C@]1(C)CC[C@]3(C)[C@]([H])(CC[C@]4(C)[C@@H](C)C(=O)CC[C@@]34[H])[C@@]1(C)CC2 |
| InChI | InChI=1S/C30H48O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h19-20,22-24H,8-18H2,1-7H3/t20-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1 |
| InChIKey | ONRNCDHSZVITNY-TWWFCBCGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alchornea cordifolia (ncbitaxon:316697) | |||
| root (BTO:0001188) | PubMed (26724423) | ||
| stem (BTO:0001300) | PubMed (26724423) | ||
| Endodesmia calophylloides (ncbitaxon:279256) | stem (BTO:0001300) | PubMed (18310952) | |
| Syzygium formosanum. (ncbitaxon:1609897) | - | PubMed (10075776) | |
| Calophyllum inophyllum (ncbitaxon:158927) | stem (BTO:0001300) | PubMed (20188156) | |
| Tripterygium hypoglaucum (ncbitaxon:205465) | root (BTO:0001188) | PubMed (22256754) | |
| Tripterygium wilfordii (ncbitaxon:458696) | root (BTO:0001188) | PubMed (16864458) |
| Roles Classification |
|---|
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| canophyllal (CHEBI:132345) has parent hydride friedelane (CHEBI:71575) |
| canophyllal (CHEBI:132345) has role antibacterial agent (CHEBI:33282) |
| canophyllal (CHEBI:132345) has role plant metabolite (CHEBI:76924) |
| canophyllal (CHEBI:132345) is a aliphatic aldehyde (CHEBI:59768) |
| canophyllal (CHEBI:132345) is a cyclic terpene ketone (CHEBI:36130) |
| canophyllal (CHEBI:132345) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxoicosahydropicene-4a(2H)-carbaldehyde |
| Synonyms | Source |
|---|---|
| friedelane-3-one-28-al | ChEBI |
| 3-oxofriedelan-28-al | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3110516 | Reaxys |
| Citations |
|---|