(+)-Scandine
AlkaPlorer ID: AK075664
Synonym: 'Scandine', 'Sandine'
IUPAC Name: methyl (1S,10R,12S,19S)-12-ethenyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Structure
SMILES: C=C[C@]12C=CCN3CC[C@@]4(C5=CC=CC=C5N=C(O)[C@@]4(C(=O)OC)C1)[C@@H]32
InChI: InChI=1S/C21H22N2O3/c1-3-19-9-6-11-23-12-10-20(16(19)23)14-7-4-5-8-15(14)22-17(24)21(20,13-19)18(25)26-2/h3-9,16H,1,10-13H2,2H3,(H,22,24)/t16-,19-,20+,21+/m0/s1
InChIKey: JTSSMMKHJYRYEG-VRXWPRPYSA-N
Reference
Alkaloids from Melodinus hemsleyanus
PubChem CID: 12082288
LOTUS: LTS0077662
SuperNatural Ⅲ: SN0174999-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus tenuicaudatus | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.4180000000002
TPSA？: 62.13
MolLogP？: 2.9056000000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|