Rotundifoline; 7-Epimer, Me ether, N-oxide
AlkaPlorer ID: AK312714
Synonym: Ciliaphylline N-oxide
IUPAC Name: methyl (Z)-2-(6'-ethyl-4-methoxy-4'-oxido-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl)-3-methoxyprop-2-enoate
Structure
SMILES: CCC1C[N+]2([O-])CCC3(C(=O)NC4=CC=CC(OC)=C43)C2CC1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C23H30N2O6/c1-5-14-12-25(28)10-9-23(19(25)11-15(14)16(13-29-2)21(26)31-4)20-17(24-22(23)27)7-6-8-18(20)30-3/h6-8,13-15,19H,5,9-12H2,1-4H3,(H,24,27)/b16-13-
InChIKey: MIGLCSJYCZVLHM-SSZFMOIBSA-N
Reference
CAS: 50506-22-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna tubulosa | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 430.50100000000026
TPSA？: 96.92
MolLogP？: 2.721400000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|