None
AlkaPlorer ID: AK324749
Synonym: None
IUPAC Name: 1-[(3aR,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]-3-methylbutane-1,2,3-triol
Structure
SMILES: CC(C)=CC[C@@]12CCN(C)[C@@H]1N(C(O)C(O)C(C)(C)O)C1=CC(Br)=CC=C12
InChI: InChI=1S/C21H31BrN2O3/c1-13(2)8-9-21-10-11-23(5)19(21)24(18(26)17(25)20(3,4)27)16-12-14(22)6-7-15(16)21/h6-8,12,17-19,25-27H,9-11H2,1-5H3/t17?,18?,19-,21+/m1/s1
InChIKey: PSTMXEHZBYTYPG-BRAJZSMUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 439.3940000000001
TPSA？: 67.17
MolLogP？: 2.9750000000000014
Number of H-Donors: 3
Number of H-Acceptors: 5
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 |