Liaconitine B
AlkaPlorer ID: AK028580
Synonym: '(-)-Liaconitine B'
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-8-(4-methoxybenzoyl)oxy-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(=O)C7=CC=C(OC)C=C7)([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/C41H51NO11/c1-8-42-21-38(22-46-2)18-17-28(49-5)41-27-19-39(45)29(50-6)20-40(31(34(41)42)32(51-7)33(38)41,53-37(44)24-11-15-26(48-4)16-12-24)30(27)35(39)52-36(43)23-9-13-25(47-3)14-10-23/h9-18,27-35,45H,8,19-22H2,1-7H3/t27-,28+,29+,30-,31+,32+,33-,34-,35-,38+,39+,40-,41+/m1/s1
InChIKey: SIMJMGSWMMIKTI-IZCFLPNWSA-N
Reference
Diterpenoid alkaloids from aconitum episcopale
PubChem CID: 100987532
LOTUS: LTS0226427
SuperNatural Ⅲ: SN0346386-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum episcopale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 733.8550000000002
TPSA？: 131.45000000000002
MolLogP？: 3.7936000000000014
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|