Voacangine pseudoindoxyl
AlkaPlorer ID: AK091698
Synonym: ''
IUPAC Name: methyl (1'S,2R,7'R,8'R,9'R)-9'-ethyl-5-methoxy-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
Structure
SMILES: CC[C@@H]1C[C@@H]2CN3CC[C@@]4(NC5=CC=C(OC)C=C5C4=O)[C@@](C(=O)OC)(C2)[C@@H]13
InChI: InChI=1S/C22H28N2O4/c1-4-14-9-13-11-21(20(26)28-3)18(14)24(12-13)8-7-22(21)19(25)16-10-15(27-2)5-6-17(16)23-22/h5-6,10,13-14,18,23H,4,7-9,11-12H2,1-3H3/t13-,14+,18+,21-,22-/m0/s1
InChIKey: ZZJBUKQZGMCYEE-OYGNADCSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana rupicola | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000002
TPSA？: 67.87
MolLogP？: 2.7257000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|