71239-64-0
AlkaPlorer ID: AK061416
Synonym: '(-)-Flustramine A', 'Flustramine A'
IUPAC Name: (3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Structure
SMILES: C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CC=C(C)C)C1=CC(Br)=CC=C12
InChI: InChI=1S/C21H29BrN2/c1-7-20(4,5)21-11-13-23(6)19(21)24(12-10-15(2)3)18-14-16(22)8-9-17(18)21/h7-10,14,19H,1,11-13H2,2-6H3/t19-,21-/m1/s1
InChIKey: AJYIZQUARKFPEC-TZIWHRDSSA-N
Reference
PubChem CID: 636869
CAS: 71239-64-0
LOTUS: LTS0151125
SuperNatural Ⅲ: SN0007586-03
NPASS: NPC211033
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.381
TPSA？: 6.48
MolLogP？: 5.346900000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Sodium channel protein type II alpha subunit | Activity | None | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.1 | Activity | None | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.4 | Activity | None | None | 10.1021/np0105984 |