Liaconitine C
AlkaPlorer ID: AK004942
Synonym: '(+)-Liaconitine C'
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8S,9R,10R,13R,16S,17R,18S)-8-ethoxy-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: CCO[C@@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)C1=CC=C(OC)C=C1)[C@@]13[C@@H](OC)C=C[C@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@@H](OC)[C@H]43
InChI: InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,32-,33+,34+,35+/m1/s1
InChIKey: UYZMNHRBMGHMRG-ATBVDUSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum episcopale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 627.7750000000002
TPSA？: 105.15000000000002
MolLogP？: 2.964500000000002
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|