Isovallesiachotamine
AlkaPlorer ID: AK026803
Synonym: 'Vallesiachotamine'
IUPAC Name: methyl (2S,12bS)-2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Structure
SMILES: C/C=C(\CO)[C@@H]1C[C@H]2C3=C(CCN2C=C1C(=O)OC)C1=CC=CC=C1N3
InChI: InChI=1S/C21H24N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3+/t16-,19-/m0/s1
InChIKey: FRUFGLJBMBUARK-AHHXMMTISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimarrhis turbinata | Chimarrhis | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 65.56
MolLogP？: 3.0825000000000014
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|