Liaconitine A
AlkaPlorer ID: AK023897
Synonym: '(+)-Liaconitine A'
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-14-en-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)C=C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)C5=CC=C(OC)C=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C35H47NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-14,22-30,39H,8,15-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
InChIKey: LMEGTVYLQDXSHB-IBOHHWAHSA-N
Reference
Diterpenoid alkaloids from aconitum episcopale
PubChem CID: 100987531
LOTUS: LTS0108370
SuperNatural Ⅲ: SN0209350-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum episcopale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 641.7580000000003
TPSA？: 122.22000000000004
MolLogP？: 2.491100000000002
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|