methyl (2Z)-2-[(3S,6'S,7'R,8'aR)-6'-ethyl-2-oxo-3',5',6',7',8',8'a-hexahydro-1H,2'H-spiro[indole-3,1'-indolizine]-7'-yl]-3-methoxyprop-2-enoate
AlkaPlorer ID: AK362504
Synonym: None
IUPAC Name: methyl (Z)-2-[(3S,6'S,7'R,8'aR)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Structure
SMILES: CC[C@@H]1CN2CC[C@@]3(C(O)=NC4=CC=CC=C43)[C@H]2C[C@H]1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19-,22+/m1/s1
InChIKey: DAXYUDFNWXHGBE-UKMPBLTPSA-N
Reference
The <i>Mitragyna</i> Species of Ghana
PubChem CID: 1245595
LOTUS: LTS0261508
SuperNatural Ⅲ: SN0060888-27
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna parvifolia | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000002
TPSA？: 71.36
MolLogP？: 3.349700000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|