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CHEBI:66544 - lancilactone C
| Formula | C30H40O4 |
| Net Charge | 0 |
| Average Mass | 464.646 |
| Monoisotopic Mass | 464.29266 |
| SMILES | [H][C@@]1([C@@H](C)[C@@]2([H])CC[C@@]3(C)C4=C(C=C(CCC(=O)O)C(=C(C)C)C=C4)CC[C@@]32C)CC=C(C)C(=O)O1 |
| InChI | InChI=1S/C30H40O4/c1-18(2)23-9-10-25-22(17-21(23)8-12-27(31)32)13-15-29(5)24(14-16-30(25,29)6)20(4)26-11-7-19(3)28(33)34-26/h7,9-10,17,20,24,26H,8,11-16H2,1-6H3,(H,31,32)/t20-,24+,26-,29+,30-/m0/s1 |
| InChIKey | TYAJEEFQBLTASC-NNIFVFKYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kadsura lancilimba (ncbitaxon:105749) | |||
| stem (BTO:0001300) | PubMed (9917290) | ||
| root (BTO:0001188) | PubMed (9917290) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. 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) |
| lancilactone C (CHEBI:66544) has role anti-HIV agent (CHEBI:64946) |
| lancilactone C (CHEBI:66544) has role metabolite (CHEBI:25212) |
| lancilactone C (CHEBI:66544) is a monocarboxylic acid (CHEBI:25384) |
| lancilactone C (CHEBI:66544) is a terpene lactone (CHEBI:37668) |
| lancilactone C (CHEBI:66544) is a tricyclic triterpenoid (CHEBI:52340) |
| lancilactone C (CHEBI:66544) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| 3-[(3R,3aR,10bR)-3a,10b-dimethyl-3-{(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-8-(propan-2-ylidene)-1,2,3,3a,4,5,8,10b-octahydrocyclohepta[e]inden-7-yl]propanoic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:218915-17-4 | ChemIDplus |
| Citations |
|---|