71239-65-1
AlkaPlorer ID: AK054512
Synonym: '(-)-Flustramine B', 'Flustramine B'
IUPAC Name: (3aR,8bS)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Structure
SMILES: CC(C)=CCN1C2=CC(Br)=CC=C2[C@]2(CC=C(C)C)CCN(C)[C@H]12
InChI: InChI=1S/C21H29BrN2/c1-15(2)8-10-21-11-13-23(5)20(21)24(12-9-16(3)4)19-14-17(22)6-7-18(19)21/h6-9,14,20H,10-13H2,1-5H3/t20-,21+/m1/s1
InChIKey: AXCACHVTDPCEAS-RTWAWAEBSA-N
Reference
Bromo-substituted physostigmine alkaloids from a marine bryozoa Flustra foliacea
PubChem CID: 10408002
LOTUS: LTS0056772
SuperNatural Ⅲ: SN0017687-02
NPASS: NPC265698
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.38100000000026
TPSA？: 6.48
MolLogP？: 5.491000000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|