ISORESERPILINE, CITRATE
AlkaPlorer ID: AK000341
Synonym: 'Neoreserpiline', 'Isoreserpiline', 'Reserpiline', 'MLS000736796', 'Isoreserpiline, citrate (1:1)', 'MLSMR', 'ISORESERPILINE, CITRATE', 'SMR000528329', '(-)-Reserpiline', 'Elliptamine', 'Reserpilin'
IUPAC Name: methyl (15R,16R,20R)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@H](C)[C@H]2CN3CCC4=C(NC5=CC(OC)=C(OC)C=C45)C3C[C@@H]12
InChI: InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14-,16-,19?/m1/s1
InChIKey: FGWJRZQNNZVCHR-SPUGTIAHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia nitida | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia serpentina | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.48600000000016
TPSA？: 73.02000000000001
MolLogP？: 3.1960000000000024
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|