(6As)-Laurolitsine
AlkaPlorer ID: AK003017
Synonym: None
IUPAC Name: (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;2,2,2-trifluoroacetic acid
Structure
SMILES: COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C18H19NO4.C2HF3O2/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16;3-2(4,5)1(6)7/h6-8,12,19-21H,3-5H2,1-2H3;(H,6,7)/t12-;/m0./s1
InChIKey: FSIWWGTYIQMPJY-YDALLXLXSA-N
Reference
Chemical investigation of drug-like compounds from the Australian tree, Neolitsea dealbata
PubChem CID: 16215677
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neolitsea dealbata | Neolitsea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.37500000000006
TPSA？: 108.25000000000001
MolLogP？: 3.1582000000000012
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | HeLa | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | LNCaP | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | NFF | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | PC-3 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| None | ADMET | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.07.100 |