EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:4387 - deltaline
| Formula | C27H41NO8 |
| Net Charge | 0 |
| Average Mass | 507.624 |
| Monoisotopic Mass | 507.28322 |
| SMILES | [H][C@]12C[C@]3(O)[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@]12C1N(CC)C[C@]4(C)CC[C@H](OC)[C@@]13[C@]4([H])[C@@H]2OC(C)=O |
| InChI | InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1 |
| InChIKey | DTTPWCNKTMQMTE-DZZCPBQSSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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) |
| deltaline (CHEBI:4387) has parent hydride aconitane (CHEBI:35911) |
| deltaline (CHEBI:4387) is a acetate ester (CHEBI:47622) |
| deltaline (CHEBI:4387) is a cyclic acetal (CHEBI:59770) |
| deltaline (CHEBI:4387) is a diterpene alkaloid (CHEBI:23847) |
| deltaline (CHEBI:4387) is a organic polycyclic compound (CHEBI:51958) |
| deltaline (CHEBI:4387) is a tertiary alcohol (CHEBI:26878) |
| deltaline (CHEBI:4387) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 20-ethyl-10-hydroxy-1α,14α,16β-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitan-6β-yl acetate |
| Synonyms | Source |
|---|---|
| Deltaline | KEGG COMPOUND |
| Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)- | KEGG COMPOUND |
| Eldeline | ChemIDplus |
| Delphelatine | ChemIDplus |
| Deltamine 6-acetate | ChemIDplus |
| Citations |
|---|