Lappaconitine
AlkaPlorer ID: AK007627
Synonym: '', 'Lappaconitine'
IUPAC Name: [(1S,2S,3S,4S,5R,6S,8S,9S,10R,13R,16R,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@@]2(OC(=O)C3=CC=CC=C3N=C(C)O)CC[C@@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC
InChI: InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25-,26-,27+,29+,30+,31+,32+/m1/s1
InChIKey: NWBWCXBPKTTZNQ-DVUYOBHCSA-N
Reference
Alkaloids of Aconitum orientale
PubChem CID: 163011519
LOTUS: LTS0232060
SuperNatural Ⅲ: SN0256825-36
NPASS: NPC203566
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: 584.7100000000005
TPSA？: 130.28
MolLogP？: 2.871100000000001
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|