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CHEBI:138945 - maniladiol
| Formula | C30H50O2 |
| Net Charge | 0 |
| Average Mass | 442.728 |
| Monoisotopic Mass | 442.38108 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C)[C@@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Protium heptaphyllum (ncbitaxon:246847) | - | PubMed (11543977) | |
| Nephelium maingayi (ncbitaxon:1277290) | bark (BTO:0001301) | PubMed (14987059) | |
| Senecio chrysanthemoides (ncbitaxon:189235) | whole plant (BTO:0001461) | PubMed (20707068) | |
| Chrysanthemum morifolium (ncbitaxon:41568) | |||
| flower (BTO:0000469) | PubMed (11809525) | ||
| flower (BTO:0000469) | PubMed (8913506) | ||
| Dacryodes hopkinsii (ncbitaxon:1591303) | - | PubMed (23776030) | |
| Protium paniculatum (ncbitaxon:246855) | - | PubMed (27034686) | |
| Platycodon grandiflorus (ncbitaxon:94286) | root (BTO:0001188) | PubMed (28371833) | |
| Helianthus annuus (ncbitaxon:4232) | flower (BTO:0000469) | PubMed (8913506) | |
| Protium hebetatum (ncbitaxon:246846) | - | PubMed (20839613) | |
| Calendula officinalis (ncbitaxon:41496) | flower (BTO:0000469) | PubMed (26562182) | |
| Taraxacum platycarpum (ncbitaxon:170727) | flower (BTO:0000469) | PubMed (8913506) | |
| Trattinnickia glaziovii (ncbitaxon:247079) | - | PubMed (23776030) | |
| Protium heptaphyllum subsp. ulei (ncbitaxon:321816) | - | PubMed (23776030) |
| 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. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| Application: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| maniladiol (CHEBI:138945) has parent hydride oleanane (CHEBI:36481) |
| maniladiol (CHEBI:138945) has role antitubercular agent (CHEBI:33231) |
| maniladiol (CHEBI:138945) has role plant metabolite (CHEBI:76924) |
| maniladiol (CHEBI:138945) is a diol (CHEBI:23824) |
| maniladiol (CHEBI:138945) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| olean-12-ene-3β,16β-diol |
| Synonyms | Source |
|---|---|
| 3beta,16beta-Dihydroxyolean-12-ene | KNApSAcK |
| 16β-hydroxy-β-amyrin | MetaCyc |
| (3beta,16beta)-Olean-12-ene-3,16-diol | HMDB |
| (3β,16β)-olean-12-ene-3,16-diol | IUPAC |
| UniProt Name | Source |
|---|---|
| maniladiol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-16621 | MetaCyc |
| C00019525 | KNApSAcK |
| HMDB0034550 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3222504 | Reaxys |
| CAS:595-17-5 | ChemIDplus |
| Citations |
|---|