Tabernine C
AlkaPlorer ID: AK029057
Synonym: 3-Methyl-9H-pyrido[3,4-b]indole-1-ethanamine, 1-(2-Aminoethyl)-3-methyl-β-carboline
IUPAC Name: 2-(3-methyl-9H-pyrido[3,4-b]indol-1-yl)ethanamine
Structure
SMILES: CC1=CC2=C(NC3=C2C=CC=C3)C(CCN)=N1
InChI: InChI=1S/C14H15N3/c1-9-8-11-10-4-2-3-5-12(10)17-14(11)13(16-9)6-7-15/h2-5,8,17H,6-7,15H2,1H3
InChIKey: XQZALXCDRFCRTM-UHFFFAOYSA-N
Reference
PubChem CID: 44179505
CAS: 1161940-63-1
LOTUS: LTS0114400
NPASS: NPC115611
COCONUT: CNP0266225
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana elegans | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.295
TPSA？: 54.7
MolLogP？: 2.525719999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P-glycoprotein 1 | Activity | 8.4 | None | 10.1021/np9001477 |
| Homo sapiens | P-glycoprotein 1 | Activity | 15.3 | None | 10.1021/np9001477 |
| Homo sapiens | P-glycoprotein 1 | Ratio | 0.79 | None | 10.1021/np9001477 |
| Homo sapiens | P-glycoprotein 1 | Ratio | 1.43 | None | 10.1021/np9001477 |
| Mus musculus | L5178Y | ID50 | 51.5 | uM | 10.1021/np9001477 |
| Mus musculus | L5178Y | ID50 | 70.6 | uM | 10.1021/np9001477 |