Crinamine
AlkaPlorer ID: AK001687
Synonym: None
IUPAC Name: (1R,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Structure
SMILES: CO[C@H]1C=C[C@]23C4=CC5=C(C=C4CN(C[C@@H]2O)[C@H]3C1)OCO5
InChI: InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15-,16-,17+/m0/s1
InChIKey: YGPRSGKVLATIHT-GNCDUGFZSA-N
Source
Properties Information
Molecule Weight: 301.34200000000004
TPSA？: 51.16000000000001
MolLogP？: 1.1866999999999996
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | Ki | nan | None | 10.1016/j.bmcl.2010.06.130 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 94.19 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 100.92 | % | 10.1124/mol.112.084152 |
| None | Unchecked | Activity | 90.0 | % | 10.1016/j.bmcl.2012.08.005 |
| None | Unchecked | ED50 | 12.5 | uM | 10.1016/j.bmcl.2012.08.005 |