Tabernanthine
AlkaPlorer ID: AK029895
Synonym: 'Tabernanthine', ''
IUPAC Name: (15S,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
Structure
SMILES: CC[C@H]1C[C@H]2CC3C4=C(CCN(C2)[C@H]31)C1=CC=C(OC)C=C1N4
InChI: InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17?,20-/m0/s1
InChIKey: UCIDWKVIQZIKEK-CATNNOJYSA-N
Reference
New Cytotoxic Indole Alkaloids from <i>Tabernaemontana calcarea</i> from the Madagascar Rainforest.
PubChem CID: 44566754
LOTUS: LTS0175404
NPASS: NPC329747
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana calcarea | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.441
TPSA？: 28.26
MolLogP？: 3.936600000000003
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 4.9 | ug.mL-1 | 10.1021/np020548e |