105708-75-6
AlkaPlorer ID: AK015052
Synonym: '(-)-Flustramide B', 'Flustramide B'
IUPAC Name: (3aR,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydropyrrolo[2,3-b]indol-2-one
Structure
SMILES: CC(C)=CCN1C2=CC(Br)=CC=C2[C@@]2(CC=C(C)C)CC(=O)N(C)[C@@H]12
InChI: InChI=1S/C21H27BrN2O/c1-14(2)8-10-21-13-19(25)23(5)20(21)24(11-9-15(3)4)18-12-16(22)6-7-17(18)21/h6-9,12,20H,10-11,13H2,1-5H3/t20-,21+/m0/s1
InChIKey: UKUFKGOAWMVCIL-LEWJYISDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 403.36400000000026
TPSA？: 23.550000000000004
MolLogP？: 5.017600000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|