EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132641 - chasmanine
| Formula | C25H41NO6 |
| Net Charge | 0 |
| Average Mass | 451.604 |
| Monoisotopic Mass | 451.29339 |
| SMILES | [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C2N(CC)C[C@]4(COC)CC[C@H](OC)[C@@]23[C@]4([H])[C@H]1OC |
| InChI | InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1 |
| InChIKey | DBODJJZRZFZBBD-RIVIBFSZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aconitum kusnezoffii (ncbitaxon:239685) | root (BTO:0001188) | PubMed (CBA:300080) | |
| Aconitum episcopale (ncbitaxon:226106) | root (BTO:0001188) | PubMed (21417277) | |
| Aconitum tatsinenense (ncbitaxon:286039) | root (BTO:0001188) | PubMed (CBA:331924) | |
| Aconitum geniculatum (ncbitaxon:632155) | root (BTO:0001188) | PubMed (CBA:337598) | |
| Aconitum kongboense (ncbitaxon:632161) | root (BTO:0001188) | PubMed (CBA:377474) | |
| Aconitum hemsleyanum (ncbitaxon:215070) | root (BTO:0001188) | PubMed (12736463) | |
| Delphinium staphisagria (ncbitaxon:104301) | aerial part (BTO:0001658) | PubMed (10978212) | |
| Aconitum carmichaelii (ncbitaxon:85363) | root (BTO:0001188) | PubMed (22628040) |
| 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antifeedant A substance that prevents pests from feeding. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chasmanine (CHEBI:132641) has parent hydride aconitane (CHEBI:35911) |
| chasmanine (CHEBI:132641) has role antifeedant (CHEBI:22583) |
| chasmanine (CHEBI:132641) has role plant metabolite (CHEBI:76924) |
| chasmanine (CHEBI:132641) is a bridged compound (CHEBI:35990) |
| chasmanine (CHEBI:132641) is a diol (CHEBI:23824) |
| chasmanine (CHEBI:132641) is a diterpene alkaloid (CHEBI:23847) |
| chasmanine (CHEBI:132641) is a organic heteropolycyclic compound (CHEBI:38166) |
| chasmanine (CHEBI:132641) is a polyether (CHEBI:46774) |
| chasmanine (CHEBI:132641) is a secondary alcohol (CHEBI:35681) |
| chasmanine (CHEBI:132641) is a tertiary alcohol (CHEBI:26878) |
| chasmanine (CHEBI:132641) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 20-ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,14α-diol |
| Synonyms | Source |
|---|---|
| Toroko base II | ChemIDplus |
| (1α,6α,14α,16β)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| 20055812 | PubChem Compound |
| C00028038 | KNApSAcK |
| CN101037412 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:50490 | Reaxys |
| Reaxys:7945618 | Reaxys |
| Reaxys:9454564 | Reaxys |
| CAS:5066-78-4 | KNApSAcK |
| CAS:5066-78-4 | ChemIDplus |
| Citations |
|---|