(6Ar)-Normecambroline
AlkaPlorer ID: AK003307
Synonym: None
IUPAC Name: (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol;2,2,2-trifluoroacetic acid
Structure
SMILES: C1CN[C@@H]2CC3=C(C=C(C=C3)O)C4=C2C1=CC5=C4OCO5.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C17H15NO3.C2HF3O2/c19-11-2-1-9-5-13-15-10(3-4-18-13)6-14-17(21-8-20-14)16(15)12(9)7-11;3-2(4,5)1(6)7/h1-2,6-7,13,18-19H,3-5,8H2;(H,6,7)/t13-;/m1./s1
InChIKey: ZAXKYKGTFNVLOO-BTQNPOSSSA-N
Reference
Chemical investigation of drug-like compounds from the Australian tree, Neolitsea dealbata
PubChem CID: 46947262
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neolitsea dealbata | Neolitsea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.3330000000001
TPSA？: 88.02
MolLogP？: 3.1641000000000012
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 28200.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | HeLa | IC50 | 4000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | LNCaP | IC50 | 13800.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | MCF7 | IC50 | 27400.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | NFF | IC50 | 42600.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| Homo sapiens | PC-3 | IC50 | 23000.0 | nM | 10.1016/j.bmcl.2010.07.100 |
| None | ADMET | IC50 | 59700.0 | nM | 10.1016/j.bmcl.2010.07.100 |