methyl (1'S,2S,3'S,8'R,9'S)-9'-ethyl-3-oxo-1H-7'-azaspiro[indole-2,4'-tricyclo[5.3.1.0³,⁸]undecane]-3'-carboxylate
AlkaPlorer ID: AK349698
Synonym: None
IUPAC Name: methyl 9'-ethyl-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
Structure
SMILES: CCC1CC2CN3CCC4(NC5=CC=CC=C5C4=O)C(C(=O)OC)(C2)C13
InChI: InChI=1S/C21H26N2O3/c1-3-14-10-13-11-20(19(25)26-2)17(14)23(12-13)9-8-21(20)18(24)15-6-4-5-7-16(15)22-21/h4-7,13-14,17,22H,3,8-12H2,1-2H3
InChIKey: BXHQWEMRWSKGAS-UHFFFAOYSA-N
Reference
20-Epiheyneanine, an iboga alkaloid from Peschiera affinis
PubChem CID: 163009889
CAS: 16620-29-4
LOTUS: LTS0099922
COCONUT: CNP0284869.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana catharinensis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000002
TPSA？: 58.64
MolLogP？: 2.717100000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|