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CHEBI:68381 - arjunolic acid
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| 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)C[C@@H](O)[C@H](O)[C@@]1(C)CO |
| InChI | InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | RWNHLTKFBKYDOJ-DDHMHSPCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Combretum quadrangulare (IPNI:170410-1) | leaf (BTO:0000713) | PubMed (21265555) | Methanolic extract of leaves |
| Juglans sinensis (ncbitaxon:442437-1) | |||
| twig (BTO:0001411) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs | |
| leaf (BTO:0000713) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs | |
| Symplocos lancifolia (ncbitaxon:239704) | leaf (BTO:0000713) | PubMed (21288041) | Dried, powdered leaves extracted with boiling 80% methanol |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| arjunolic acid (CHEBI:68381) has parent hydride oleanane (CHEBI:36481) |
| arjunolic acid (CHEBI:68381) has role antibacterial agent (CHEBI:33282) |
| arjunolic acid (CHEBI:68381) has role antifungal agent (CHEBI:35718) |
| arjunolic acid (CHEBI:68381) has role antioxidant (CHEBI:22586) |
| arjunolic acid (CHEBI:68381) has role metabolite (CHEBI:25212) |
| arjunolic acid (CHEBI:68381) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| arjunolic acid (CHEBI:68381) is a pentacyclic triterpenoid (CHEBI:25872) |
| arjunolic acid (CHEBI:68381) is conjugate acid of arjunolate (CHEBI:234087) |
| Incoming Relation(s) |
| 2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) has functional parent arjunolic acid (CHEBI:68381) |
| 3-O-[β-D-glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]arjunolic acid (CHEBI:68378) has functional parent arjunolic acid (CHEBI:68381) |
| arjunolate (CHEBI:234087) is conjugate base of arjunolic acid (CHEBI:68381) |
| IUPAC Name |
|---|
| (2α,3β)-2,3,23-trihydroxyolean-12-en-28-oic acid |
| Synonym | Source |
|---|---|
| (2α,3β,4α)-2,3,23-trihydroxyolean-12-en-28-oic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CN101416970 | Patent |
| GB923414 | Patent |
| HMDB0034502 | HMDB |
| WO2013064326 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2712723 | Reaxys |
| CAS:465-00-9 | ChemIDplus |
| Citations |
|---|