Isobrafouedine
AlkaPlorer ID: AK000045
Synonym: None
IUPAC Name: (12R,14R,15R,16S)-12,14-dimethyl-13-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraen-15-ol
Structure
SMILES: C[C@@H]1[C@@]2(CN3CC[C@@H]2[C@@](O1)(C4=C(C3)C5=CC=CC=C5N4)C)O
InChI: InChI=1S/C18H22N2O2/c1-11-18(21)10-20-8-7-15(18)17(2,22-11)16-13(9-20)12-5-3-4-6-14(12)19-16/h3-6,11,15,19,21H,7-10H2,1-2H3/t11-,15-,17-,18-/m1/s1
InChIKey: GRYLPQMKUYUVAD-ZSRAPXMWSA-N
Reference
Brafouédine et Isobrafouédine: Nouveaux Alcaloïdes Indoliques Mineurs de Strychnos dinklagei
PubChem CID: 5492080
CAS: 104021-42-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos dinklagei | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 298.38599999999997
TPSA？: 48.489999999999995
MolLogP？: 2.3684000000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|