158642-05-8
AlkaPlorer ID: AK059752
Synonym: '', 'Flustramine E'
IUPAC Name: (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Structure
SMILES: CC(C)=CC[C@@]12CCN(C)[C@@H]1NC1=CC(Br)=CC=C12
InChI: InChI=1S/C16H21BrN2/c1-11(2)6-7-16-8-9-19(3)15(16)18-14-10-12(17)4-5-13(14)16/h4-6,10,15,18H,7-9H2,1-3H3/t15-,16-/m0/s1
InChIKey: NXURJBZDLHRCEU-HOTGVXAUSA-N
Reference
PubChem CID: 190928
CAS: 158642-05-8
LOTUS: LTS0093418
NPASS: NPC489173
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: 321.26200000000006
TPSA？: 15.27
MolLogP？: 4.130300000000003
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np50109a020 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np50109a020 |
| Bacillus subtilis | Bacillus subtilis | IZ | 12.0 | mm | 10.1021/np50109a020 |
| Botrytis cinerea | Botrytis cinerea | IZ | 21.0 | mm | 10.1021/np50109a020 |
| Botrytis cinerea | Botrytis cinerea | IZ | 25.0 | mm | 10.1021/np50109a020 |
| Botrytis cinerea | Botrytis cinerea | IZ | 27.0 | mm | 10.1021/np50109a020 |
| Fusarium oxysporum | Fusarium oxysporum | Activity | nan | None | 10.1021/np50109a020 |
| Fusarium oxysporum | Fusarium oxysporum | IZ | 10.0 | mm | 10.1021/np50109a020 |
| Globisporangium ultimum | Globisporangium ultimum | Activity | nan | None | 10.1021/np50109a020 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np50109a020 |
| Rhizoctonia solani | Rhizoctonia solani | IZ | 9.0 | mm | 10.1021/np50109a020 |
| Rhizoctonia solani | Rhizoctonia solani | IZ | 10.0 | mm | 10.1021/np50109a020 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np50109a020 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 14.0 | mm | 10.1021/np50109a020 |