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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 |
|---|---|---|---|
| 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 |
| Combretum quadrangulare (IPNI:170410-1) | leaf (BTO:0000713) | PubMed (21265555) | Methanolic extract of leaves |
| 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: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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 |
|---|---|
| HMDB0034502 | HMDB |
| WO2013064326 | Patent |
| CN101416970 | Patent |
| GB923414 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2712723 | Reaxys |
| CAS:465-00-9 | ChemIDplus |
| Citations |
|---|