eburnamenine
AlkaPlorer ID: AK004860
Synonym: '', '(-)-Eburnamenine', 'cis-Vincamenine', '(+)-Eburnamenine', 'Vincamenine'
IUPAC Name: (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
Structure
SMILES: CC[C@@]12C=CN3C4=C(CCN(CCC1)[C@H]42)C1=CC=CC=C13
InChI: InChI=1S/C19H22N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-4,6-7,10,13,18H,2,5,8-9,11-12H2,1H3/t18-,19+/m1/s1
InChIKey: VKTOXAGUZWAECL-MOPGFXCFSA-N
Reference
PubChem CID: 15559073
LOTUS: LTS0209416
SuperNatural Ⅲ: SN0392939-01
NPASS: NPC20144
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 278.399
TPSA？: 8.17
MolLogP？: 4.215000000000003
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np900595v |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np900595v |
| Homo sapiens | SK-BR-3 | IC50 | 40000.0 | nM | 10.1021/np900595v |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/np900595v |