Tabernine A; (+)-form
AlkaPlorer ID: AK155380
Synonym: None
IUPAC Name: 6,8-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,8,10,12,14,16-hexaene
Structure
SMILES: CC1=CC2=C([N-]C3=CC=CC=C32)C2=[N+]1C(C)NCC2
InChI: InChI=1S/C16H17N3/c1-10-9-13-12-5-3-4-6-14(12)18-16(13)15-7-8-17-11(2)19(10)15/h3-6,9,11,17H,7-8H2,1-2H3
InChIKey: VBMLQDYYOPHOCB-UHFFFAOYSA-N
Reference
Tabernines A−C, β-Carbolines from the Leaves of <i>Tabernaemontana elegans</i>
PubChem CID: 44179503
LOTUS: LTS0251182
NPASS: NPC476219
COCONUT: CNP0149216
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana elegans | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 251.333
TPSA？: 30.01
MolLogP？: 2.2103200000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Huh-7 | Activity | None | None | 10.1016/j.bmcl.2009.05.104 |