Echitamidine; 12-Methoxy, Na-formyl
AlkaPlorer ID: AK297262
Synonym: Na-Formyl-12-methoxyechitamidine, Na-Formylscholarine
IUPAC Name: methyl 8-formyl-12-(1-hydroxyethyl)-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2N(C=O)C3=C(OC)C=CC=C3C23CCN2CC(C(C)O)C1CC23
InChI: InChI=1S/C22H26N2O5/c1-12(26)14-10-23-8-7-22-15-5-4-6-16(28-2)19(15)24(11-25)20(22)18(21(27)29-3)13(14)9-17(22)23/h4-6,11-14,17,26H,7-10H2,1-3H3
InChIKey: OJOWMNYXPMKXRR-UHFFFAOYSA-N
Reference
A new indole alkaloid from <i>Alstonia scholaris</i>
PubChem CID: 162941164
LOTUS: LTS0162871
COCONUT: CNP0211542.2
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: 398.4590000000002
TPSA？: 79.31
MolLogP？: 1.4412999999999996
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|