Nb-Demethylechitamine
AlkaPlorer ID: AK007736
Synonym: None
IUPAC Name: methyl (1S,10R,12S,13E)-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=C\1/CN2CC[C@@]34C2([C@@H](C[C@@H]1C3(CO)C(=O)OC)O)NC5=CC=CC=C45
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-CITVZARASA-N
Reference
Calophyline A, a New Rearranged Monoterpenoid Indole Alkaloid from Winchia calophylla
PubChem CID: 168679771
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia rostrata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alstonia scholaris | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia mannii | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.449
TPSA？: 82.03
MolLogP？: 1.2442999999999993
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|