echitamine
AlkaPlorer ID: AK319627
Synonym: None
IUPAC Name: methyl (1S,9S,13E,15S)-13-ethylidene-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Structure
SMILES: C/C=C1/C[N@+]2(C)CC[C@@]34C5=CC=CC=C5N[C@]32CCC1C4(CO)C(=O)OC
InChI: InChI=1S/C22H29N2O3/c1-4-15-13-24(2)12-11-21-17-7-5-6-8-18(17)23-22(21,24)10-9-16(15)20(21,14-25)19(26)27-3/h4-8,16,23,25H,9-14H2,1-3H3/q+1/b15-4-/t16?,20?,21-,22-,24-/m0/s1
InChIKey: FYFJKVNWEOWJJQ-CPGOGGBDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia boonei | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alstonia scholaris | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.4850000000001
TPSA？: 58.56
MolLogP？: 2.4181
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|