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CHEBI:63749 - (+)-artemisinic acid
| Formula | C15H22O2 |
| Net Charge | 0 |
| Average Mass | 234.339 |
| Monoisotopic Mass | 234.16198 |
| SMILES | [H][C@@]12CCC(C)=C[C@]1([H])[C@H](C(=C)C(=O)O)CC[C@H]2C |
| InChI | InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1 |
| InChIKey | PLQMEXSCSAIXGB-SAXRGWBVSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-artemisinic acid (CHEBI:63749) has functional parent (+)-artemisinic alcohol (CHEBI:64783) |
| (+)-artemisinic acid (CHEBI:63749) has role metabolite (CHEBI:25212) |
| (+)-artemisinic acid (CHEBI:63749) is a carbobicyclic compound (CHEBI:36785) |
| (+)-artemisinic acid (CHEBI:63749) is a monocarboxylic acid (CHEBI:25384) |
| (+)-artemisinic acid (CHEBI:63749) is a octahydronaphthalenes (CHEBI:138397) |
| (+)-artemisinic acid (CHEBI:63749) is a sesquiterpenoid (CHEBI:26658) |
| (+)-artemisinic acid (CHEBI:63749) is conjugate acid of (+)-artemisinate (CHEBI:64782) |
| Incoming Relation(s) |
| (+)-artemisinate (CHEBI:64782) is conjugate base of (+)-artemisinic acid (CHEBI:63749) |
| IUPAC Name |
|---|
| 2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| artemisic acid | ChemIDplus |
| artemisinic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| CPD-13248 | MetaCyc |
| WO2009085068 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3546102 | Reaxys |
| CAS:80286-58-4 | ChemIDplus |
| Citations |
|---|