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CHEBI:67368 - pisonolic acid
| Formula | C31H48O5 |
| Net Charge | 0 |
| Average Mass | 500.720 |
| Monoisotopic Mass | 500.35017 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)OC |
| InChI | InChI=1S/C31H48O5/c1-26(2)14-16-31(24(33)34)17-15-28(4)19(20(31)18-26)8-9-21-27(3)12-11-23(32)30(6,25(35)36-7)22(27)10-13-29(21,28)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21+,22+,23-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | ZTADBTFVRJWIEY-KPKOFJSASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pisonia aculeata (ncbitaxon:363212) | |||
| root (BTO:0001188) | PubMed (21542597) | Cold methanolic extract of dried stems and roots | |
| stem (BTO:0001300) | PubMed (21542597) | Cold methanolic extract of dried stems and roots |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pisonolic acid (CHEBI:67368) has functional parent gypsogenic acid (CHEBI:71531) |
| pisonolic acid (CHEBI:67368) has parent hydride oleanane (CHEBI:36481) |
| pisonolic acid (CHEBI:67368) has role metabolite (CHEBI:25212) |
| pisonolic acid (CHEBI:67368) has role plant metabolite (CHEBI:76924) |
| pisonolic acid (CHEBI:67368) is a carboxylic ester (CHEBI:33308) |
| pisonolic acid (CHEBI:67368) is a hydroxy carboxylic acid (CHEBI:24669) |
| pisonolic acid (CHEBI:67368) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (3β)-3-hydroxy-23-methoxy-23-oxoolean-12-en-28-oic acid |
| Synonyms | Source |
|---|---|
| gypsogenic acid 23-monomethyl ester | ChEBI |
| oleananic acid 23α-methylcarboxylate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5781597 | Reaxys |
| Citations |
|---|