None
AlkaPlorer ID: AK324750
Synonym: None
IUPAC Name: 1-[(3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]-3-methylbutane-2,3-diol
Structure
SMILES: C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CC(O)C(C)(C)O)C1=CC(Br)=CC=C12
InChI: InChI=1S/C21H31BrN2O2/c1-7-19(2,3)21-10-11-23(6)18(21)24(13-17(25)20(4,5)26)16-12-14(22)8-9-15(16)21/h7-9,12,17-18,25-26H,1,10-11,13H2,2-6H3/t17?,18-,21-/m1/s1
InChIKey: ILTOECWMXLAEJZ-WVYCPIKRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 423.3950000000001
TPSA？: 46.94
MolLogP？: 3.512500000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Dendritic cell | Activity | None | None | 10.1021/acs.jnatprod.0c00126 |