brucine
AlkaPlorer ID: AK003076
Synonym: '', 'Brucine', '2,3-Dimethoxystrychnine', 'SMR000528046', 'MLSMR', 'SMR000112281', 'MLS000736497', 'MLS000515808', 'MLS001424166'
IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43
InChI: InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21+,22-,23+/m0/s1
InChIKey: RRKTZKIUPZVBMF-PQZGIKSLSA-N
Reference
The occurrence of strychnine and brucine in an american species of Strychnos
PubChem CID: 51415682
LOTUS: LTS0130731
SuperNatural Ⅲ: SN0333252-15
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos panamensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.4710000000001
TPSA？: 51.24
MolLogP？: 2.1097
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|