104387-14-6
AlkaPlorer ID: AK011406
Synonym: None
IUPAC Name: (3aS,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Structure
SMILES: C=CC(C)(C)[C@@]12CCN(C)[C@@H]1NC1=C(CC=C(C)C)C(Br)=CC=C12
InChI: InChI=1S/C21H29BrN2/c1-7-20(4,5)21-12-13-24(6)19(21)23-18-15(9-8-14(2)3)17(22)11-10-16(18)21/h7-8,10-11,19,23H,1,9,12-13H2,2-6H3/t19-,21+/m0/s1
InChIKey: JLUYMVPXHOVLPX-PZJWPPBQSA-N
Reference
New physostigmine related bromoalkaloids from the marine bryozoan <i>Flustra</i><i>foliacea</i>
PubChem CID: 23247766
LOTUS: LTS0192494
SuperNatural Ⅲ: SN0168917-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.3810000000001
TPSA？: 15.27
MolLogP？: 5.494900000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|