78127-86-3
AlkaPlorer ID: AK066642
Synonym: '', 'Flustramine C'
IUPAC Name: (8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2-dihydropyrrolo[2,3-b]indole
Structure
SMILES: C=CC(C)(C)[C@@]12CCN(C)C1=NC1=CC(Br)=CC=C12
InChI: InChI=1S/C16H19BrN2/c1-5-15(2,3)16-8-9-19(4)14(16)18-13-10-11(17)6-7-12(13)16/h5-7,10H,1,8-9H2,2-4H3/t16-/m1/s1
InChIKey: FAMNDMIFKHXHGO-MRXNPFEDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 319.24600000000004
TPSA？: 15.6
MolLogP？: 4.278200000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Activity | 30.0 | % | 10.1016/j.ejmech.2020.112945 |
| Rattus norvegicus | Sodium channel protein type II alpha subunit | Activity | nan | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.1 | Activity | nan | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.4 | Activity | nan | None | 10.1021/np0105984 |