Lycoctonine
AlkaPlorer ID: AK007790
Synonym: 'SMR000470839', 'Lycoctonine', 'MLS000728669', '(+)-Lycoctonine'
IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9R,10S,13R,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-WQDZHITMSA-N
Reference
Alkaloids of Aconitum orientale
PubChem CID: 162944121
LOTUS: LTS0167906
SuperNatural Ⅲ: SN0456257-14
NPASS: NPC52455
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Mundulea chapelieri | Mundulea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 |
|---|