Rotundifoline; β-Nb-Oxide
AlkaPlorer ID: AK312715
Synonym: Rotundifoline N-oxide
IUPAC Name: None
Structure
SMILES: CCC1C[N+]2([O-])CCC3(C(=O)NC4=CC=CC(O)=C43)C2CC1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C22H28N2O6/c1-4-13-11-24(28)9-8-22(19-16(23-21(22)27)6-5-7-17(19)25)18(24)10-14(13)15(12-29-2)20(26)30-3/h5-7,12-14,18,25H,4,8-11H2,1-3H3,(H,23,27)/b15-12-
InChIKey: HCQVWPGBVSDMKL-QINSGFPZSA-N
Reference
CAS: 64470-93-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 416.4740000000003
TPSA？: 107.92
MolLogP？: 2.4184
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|