methyl (2Z)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4-methoxy-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: AK390871
Synonym: None
IUPAC Name: methyl (Z)-2-[(3R,6'S,7'R,8'aS)-6'-ethyl-4-methoxy-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(OC)=C43)[C@@H]2C[C@H]1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)21(26)30-4)20-17(24-22(23)27)7-6-8-18(20)29-3/h6-8,13-15,19H,5,9-12H2,1-4H3,(H,24,27)/b16-13-/t14-,15-,19+,23+/m1/s1
InChIKey: GOOQGTUGASFJCR-KFAUPPOSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna rotundifolia | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 414.5020000000002
TPSA？: 80.59000000000002
MolLogP？: 3.3583000000000025
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|