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CHEBI:5635 - helenalin
| Formula | C15H18O4 |
| Net Charge | 0 |
| Average Mass | 262.305 |
| Monoisotopic Mass | 262.12051 |
| SMILES | [H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1 |
| InChIKey | ZVLOPMNVFLSSAA-XEPQRQSNSA-N |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| helenalin (CHEBI:5635) has role anti-inflammatory agent (CHEBI:67079) |
| helenalin (CHEBI:5635) has role antineoplastic agent (CHEBI:35610) |
| helenalin (CHEBI:5635) has role metabolite (CHEBI:25212) |
| helenalin (CHEBI:5635) has role plant metabolite (CHEBI:76924) |
| helenalin (CHEBI:5635) is a cyclic ketone (CHEBI:3992) |
| helenalin (CHEBI:5635) is a organic heterotricyclic compound (CHEBI:26979) |
| helenalin (CHEBI:5635) is a secondary alcohol (CHEBI:35681) |
| helenalin (CHEBI:5635) is a sesquiterpene lactone (CHEBI:37667) |
| helenalin (CHEBI:5635) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione |
| Synonyms | Source |
|---|---|
| (3aS)-3,3aα,4α,4a,7aα,8,9,9aα-octahydro-4-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione | ChemIDplus |
| 6α,8β-dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone | ChemIDplus |
| Helenalin A | ChemIDplus |
| Citations |
|---|