pseudobrucine
AlkaPlorer ID: AK005261
Synonym: '16-Hydroxybrucine', 'Pseudobrucine'
IUPAC Name: (8aS,13aS)-5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-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=CCOC6CC(=O)N2[C@H]1C6C5CC43O
InChI: InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13?,18?,20?,21-,22-,23?/m0/s1
InChIKey: JNNROFOMHXIAMQ-GPVNIRROSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 410.47000000000014
TPSA？: 71.47
MolLogP？: 1.4296999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|