ibogamine
AlkaPlorer ID: AK000104
Synonym: '', 'Ibogamine'
IUPAC Name: (1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Structure
SMILES: CC[C@H]1C[C@@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)C1=CC=CC=C1N4
InChI: InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13+,16+,19+/m1/s1
InChIKey: LRLCVRYKAFDXKU-YGOSVGOTSA-N
Reference
Biologically active indole and bisindole alkaloids from Tabernaemontana divaricata
PubChem CID: 100217
LOTUS: LTS0030139
NPASS: NPC215538
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holacantha emoryi | Holacantha | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dorstenia zenkeri | Dorstenia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 280.415
TPSA？: 19.03
MolLogP？: 3.9280000000000026
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Serotonin transporter | IC50 | 330.0 | nM | 10.1021/acsmedchemlett.2c00214 |
| Rattus norvegicus | Synaptic vesicular amine transporter | IC50 | 3000.0 | nM | 10.1021/acsmedchemlett.2c00214 |