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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: | 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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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: | antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. 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. |
| 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 |
|---|