(-)-Arborescidine C
AlkaPlorer ID: AK035806
Synonym: ''
IUPAC Name: (5S,9S)-13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-9-ol
Structure
SMILES: CN1CCC2=C3[C@@H]1CCC[C@H](O)N3C1=CC(Br)=CC=C21
InChI: InChI=1S/C16H19BrN2O/c1-18-8-7-12-11-6-5-10(17)9-14(11)19-15(20)4-2-3-13(18)16(12)19/h5-6,9,13,15,20H,2-4,7-8H2,1H3/t13-,15-/m0/s1
InChIKey: SEKCREXSGCGPFK-ZFWWWQNUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verongula rigida | Verongula | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 335.24500000000006
TPSA？: 28.4
MolLogP？: 3.6076000000000015
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | IC50 | 30900.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | HL-60 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | J82 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | KB | Activity | 100.0 | % | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | MRC5 | IC50 | 31900.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | SK-MES-1 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2009.04.005 |