Tabersonine
AlkaPlorer ID: AK314825
Synonym: Methyl 2,3,6,7-tetradehydroaspidospermidine-3-carboxylate
IUPAC Name: None
Structure
SMILES: CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1)[NH2+]C1=C4C=CC=C1)C32
InChI: InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/p+1
InChIKey: FNGGIPWAZSFKCN-UHFFFAOYSA-O
Reference
Alkaloids from Melodinus hemsleyanus
CAS: 4429-63-4
LOTUS: LTS0084437
NPASS: NPC322832
COCONUT: CNP0391223.9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Amsonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Voacanga africana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.44300000000004
TPSA？: 46.150000000000006
MolLogP？: 2.0041999999999995
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|