Aspidospermine; N-De-Ac, N-formyl
AlkaPlorer ID: AK289566
Synonym: Vallesine
IUPAC Name: 12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-triene-8-carbaldehyde
Structure
SMILES: CCC12CCCN3CCC4(C5=CC=CC(OC)=C5N(C=O)C4CC1)C32
InChI: InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25-2)18(15)23(14-24)17(21)8-10-20/h4,6-7,14,17,19H,3,5,8-13H2,1-2H3
InChIKey: KYRQTZSLJBESSD-UHFFFAOYSA-N
Reference
Über Vallesin, ein neues Alkaloid aus Vallesia glabra
PubChem CID: 12444660
CAS: 466-46-6
LOTUS: LTS0270564
COCONUT: CNP0259530.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strempeliopsis strempelioides | Strempeliopsis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.4670000000001
TPSA？: 32.78
MolLogP？: 3.3363000000000023
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|