N(4)-demethylechitamine
AlkaPlorer ID: AK035033
Synonym: 'Dihydrocorymine; 3-Epimer, N-de-Me', 'N(4)-Demethylechitamine', 'Nb-Demethylechitamine'
IUPAC Name: methyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Structure
SMILES: C/C=C1\CN2CC[C@@]34C5=CC=CC=C5N[C@@]23[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC
InChI: InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3+/t15-,17-,19-,20-,21-/m0/s1
InChIKey: VZZBVNLFHYEUHM-WCDVPDCSSA-N
Reference
ALKALOIDS OF<i>ALSTONIA SCHOLARIS</i>FROM THAILAND
PubChem CID: 162980366
LOTUS: LTS0054609
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia rostrata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.4490000000002
TPSA？: 82.03000000000002
MolLogP？: 1.2442999999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|