Vallesine
AlkaPlorer ID: AK203158
Synonym: 'N-Deacetyl-N-formylaspidospermine'
IUPAC Name: (1R,9R,12R,19R)-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: CC[C@@]12CCCN3CC[C@]4(C5=CC=CC(OC)=C5N(C=O)[C@@H]4CC1)[C@H]32
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/t17-,19-,20-,21-/m1/s1
InChIKey: KYRQTZSLJBESSD-CWJKEVGVSA-N
Reference
Alkaloids from Strempeliopsis strempelioides K. SCHUM.
PubChem CID: 20054841
LOTUS: LTS0057806
SuperNatural Ⅲ: SN0199007-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| 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 |
|---|