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CHEBI:2873 - asiatic acid
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| SMILES | [H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@@]34[H])[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/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | JXSVIVRDWWRQRT-UYDOISQJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Symplocos lancifolia (ncbitaxon:239704) | leaf (BTO:0000713) | PubMed (21288041) | Dried, powdered leaves extracted with boiling 80% methanol |
| Vateria indica (IPNI:321552-1) | latex (BTO:0000710) | PubMed (21561086) | Previous component: resin; |
| Combretum quadrangulare (IPNI:170410-1) | leaf (BTO:0000713) | PubMed (21265555) | Methanolic extract of leaves |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | angiogenesis modulating agent An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| asiatic acid (CHEBI:2873) has parent hydride ursane (CHEBI:35711) |
| asiatic acid (CHEBI:2873) has role angiogenesis modulating agent (CHEBI:50926) |
| asiatic acid (CHEBI:2873) has role metabolite (CHEBI:25212) |
| asiatic acid (CHEBI:2873) is a monocarboxylic acid (CHEBI:25384) |
| asiatic acid (CHEBI:2873) is a pentacyclic triterpenoid (CHEBI:25872) |
| asiatic acid (CHEBI:2873) is a triol (CHEBI:27136) |
| asiatic acid (CHEBI:2873) is conjugate acid of asiatate (CHEBI:234025) |
| Incoming Relation(s) |
| 11α-hydroxyasiatic acid (CHEBI:68380) has functional parent asiatic acid (CHEBI:2873) |
| 19α-hydroxyasiatic acid (CHEBI:67915) has functional parent asiatic acid (CHEBI:2873) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) has functional parent asiatic acid (CHEBI:2873) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) has functional parent asiatic acid (CHEBI:2873) |
| 3-O-[β-D-glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]asiatic acid (CHEBI:68379) has functional parent asiatic acid (CHEBI:2873) |
| asiaticoside (CHEBI:79928) has functional parent asiatic acid (CHEBI:2873) |
| asiatate (CHEBI:234025) is conjugate base of asiatic acid (CHEBI:2873) |
| IUPAC Name |
|---|
| (2α,3β)-2,3,23-trihydroxyurs-12-en-28-oic acid |
| Synonym | Source |
|---|---|
| Asiatic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C08617 | KEGG COMPOUND |
| TW200938215 | Patent |
| JP2012092110 | Patent |
| 0AS | PDBeChem |
| C00003739 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2712715 | Reaxys |
| CAS:464-92-6 | KEGG COMPOUND |
| CAS:464-92-6 | ChemIDplus |
| Citations |
|---|