11-chloro-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.0¹,¹?.0²,?]heptadeca-2,4,6,16-tetraen-5-ol
AlkaPlorer ID: AK044882
Synonym: None
IUPAC Name: (1R,9R,10R,11R)-11-chloro-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
Structure
SMILES: CC1=C[C@H]2CC3=C(C=CC(O)=N3)[C@@]3(C1)[C@@H]2[C@H](Cl)CCN3C
InChI: InChI=1S/C17H21ClN2O/c1-10-7-11-8-14-12(3-4-15(21)19-14)17(9-10)16(11)13(18)5-6-20(17)2/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3,(H,19,21)/t11-,13+,16-,17-/m0/s1
InChIKey: RRGNVROICAKYCS-LPOXYFBYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycopodiastrum casuarinoides | Lycopodiastrum | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 304.8210000000001
TPSA？: 36.36000000000001
MolLogP？: 3.063900000000002
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 | Acetylcholinesterase | IC50 | 20900.0 | nM | 10.1021/np4003355 |
| Rattus norvegicus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/np4003355 |