Pibocin B
AlkaPlorer ID: AK026080
Synonym: None
IUPAC Name: (6aR,9R,10aR)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Structure
SMILES: CON1C(Br)=C2C[C@@H]3[C@H](C[C@@H](C)CN3C)C3=CC=CC1=C32
InChI: InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
InChIKey: ZCNGIHGSYMIIIR-IXPVHAAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eudistoma | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Eudistoma | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 349.27200000000005
TPSA？: 17.4
MolLogP？: 3.4421000000000017
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | ED50 | 25.0 | ug ml-1 | 10.1021/np010161w |