(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-
AlkaPlorer ID: AK056675
Synonym: None
IUPAC Name: (2R)-2-[(1S,3S,4S,5R,6S,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one
Structure
SMILES: CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@H]6OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42
InChI: InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19-,21-,22+/m0/s1
InChIKey: LZIYZPJJVMGBPX-IWWHZBOVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona aphylla | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4910000000002
TPSA？: 77.46000000000001
MolLogP？: 1.5859999999999996
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | MIC | 50.0 | ng | 10.1021/np100668s |