Lycoctonine
AlkaPlorer ID: AK007791
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
Structure
SMILES: CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1
InChIKey: YOTUXHIWBVZAJQ-VCDUNCIKSA-N
Reference
Acovulparine, a New Norditerpene Alkaloid from <i>Aconitum vulparia</i>
PubChem CID: 11972492
LOTUS: LTS0155143
SuperNatural Ⅲ: SN0456257-11
NPASS: NPC208118
Source
Properties Information
Molecule Weight: 467.6030000000002
TPSA？: 100.85000000000002
MolLogP？: 0.2710000000000028
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | LD50 | 443.5 | mg.kg-1 | 10.1021/np50120a007 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | Activity | -25.0 | bpm | 10.1021/np50006a006 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | Activity | 0.0 | bpm | 10.1021/np50006a006 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | Activity | 5.0 | bpm | 10.1021/np50006a006 |
| Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit | IC50 | 10000.0 | nM | 10.1021/jm9604991 |