Cyclonataminol
AlkaPlorer ID: AK003910
Synonym: None
IUPAC Name: (1S,3S,5R,6R,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-ene-5,14-diol
Structure
SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C
InChI: InChI=1S/C28H48N2O2/c1-17(29(6)7)22-18(31)14-26(5)21-11-10-20-24(2,3)23(30(8)9)19(32)15-28(20)16-27(21,28)13-12-25(22,26)4/h10-11,17-23,31-32H,12-16H2,1-9H3/t17-,18+,19+,20-,21-,22-,23-,25+,26-,27-,28+/m0/s1
InChIKey: KQPMIGNYSJUHRD-VQKBPVDWSA-N
Source
Properties Information
Molecule Weight: 444.7040000000004
TPSA？: 46.940000000000005
MolLogP？: 4.023400000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 22900.0 | nM | 10.1021/np100494u |