Neolinine
AlkaPlorer ID: AK158281
Synonym: ''
IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,9R,10R,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Structure
SMILES: CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C23H37NO6/c1-4-24-9-21(10-25)6-5-14(26)23-12-7-11-13(29-2)8-22(28,15(12)17(11)27)16(20(23)24)18(30-3)19(21)23/h11-20,25-28H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21+,22+,23+/m1/s1
InChIKey: RQCXQGUVPFYJCE-DNRCIBTJSA-N
Reference
Bisnorditerpene, Norditerpene, and Lipo-alkaloids from<i>Aconitum toxicum</i>
PubChem CID: 162931234
LOTUS: LTS0275442
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum toxicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5500000000002
TPSA？: 102.62000000000002
MolLogP？: -0.152099999999999
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|