Peduncularine; 7-Epimer
AlkaPlorer ID: AK309518
Synonym: None
IUPAC Name: 3-[(8-methylidene-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-en-7-yl)methyl]-1H-indole
Structure
SMILES: C=C1C2CC=CC1N(C(C)C)C2CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3
InChIKey: SMPYGFGFKJAEJW-UHFFFAOYSA-N
Reference
Chapter 3 Aristotelia Alkaloids
PubChem CID: 44719092
CAS: 34964-75-5
LOTUS: LTS0008490
COCONUT: CNP0276585.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristotelia peduncularis | Aristotelia | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 292.426
TPSA？: 19.03
MolLogP？: 4.303900000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|