Tabernine B
AlkaPlorer ID: AK064597
Synonym: '(+)-Tabernine B', 'tabernine B'
IUPAC Name: (9S)-3,9-dimethyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaene
Structure
SMILES: CC1=CC2=C3C(=N1)CCN[C@H](C)N3C1=CC=CC=C21
InChI: InChI=1S/C16H17N3/c1-10-9-13-12-5-3-4-6-15(12)19-11(2)17-8-7-14(18-10)16(13)19/h3-6,9,11,17H,7-8H2,1-2H3/t11-/m0/s1
InChIKey: ZDRMIRKEMZHLHE-NSHDSACASA-N
Reference
Tabernines A−C, β-Carbolines from the Leaves of <i>Tabernaemontana elegans</i>
PubChem CID: 163033407
LOTUS: LTS0196339
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana elegans | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 251.33300000000003
TPSA？: 29.85
MolLogP？: 3.1621200000000016
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|