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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: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. |
| 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 |
|---|