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CHEBI:3454 - cassaine
| Formula | C24H39NO4 |
| Net Charge | 0 |
| Average Mass | 405.579 |
| Monoisotopic Mass | 405.28791 |
| SMILES | [H][C@]12CC/C(=C\C(=O)OCCN(C)C)[C@H](C)[C@]1([H])C(=O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |
| InChI | InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1 |
| InChIKey | GMHWATCMBXIANN-IOJUAHGHSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Erythrophleum guineense (ncbitaxon:1206079) | bark (BTO:0001301) | Article (Book: Dictionary of Alkaloids with CD-ROM, John Buckingham et al, CRC press, 2010, pg 374, C-178.) | |
| Erythrophleum ivorense (ncbitaxon:53877) | - | PubMed (5135168) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. poison Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism. EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Na+/K+-transporting ATPase (EC 3.6.3.9). |
| Applications: | local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cassaine (CHEBI:3454) has parent hydride podocarpane (CHEBI:36548) |
| cassaine (CHEBI:3454) has role antihypertensive agent (CHEBI:35674) |
| cassaine (CHEBI:3454) has role cardiotonic drug (CHEBI:38147) |
| cassaine (CHEBI:3454) has role EC 3.6.3.9 (Na+/K+-transporting ATPase) inhibitor (CHEBI:63510) |
| cassaine (CHEBI:3454) has role local anaesthetic (CHEBI:36333) |
| cassaine (CHEBI:3454) has role plant metabolite (CHEBI:76924) |
| cassaine (CHEBI:3454) has role poison (CHEBI:64909) |
| cassaine (CHEBI:3454) is a enoate ester (CHEBI:51702) |
| cassaine (CHEBI:3454) is a organic hydroxy compound (CHEBI:33822) |
| cassaine (CHEBI:3454) is a tertiary amino compound (CHEBI:50996) |
| cassaine (CHEBI:3454) is a tricyclic diterpenoid (CHEBI:79084) |
| IUPAC Name |
|---|
| 2-(dimethylamino)ethyl (2E)-[(13E)-3β-hydroxy-14α-methyl-7-oxopodocarpan-13-ylidene]acetate |
| Synonyms | Source |
|---|---|
| (+)-cassaine | ChEBI |
| cassaine | KEGG COMPOUND |
| nervocidine | ChemIDplus |
| Citations |
|---|