4-Methylaconitane-1,8,10,14,16,18-hexol; (1α,14α,16β)-form, O16,O18-Di-Me, N-Et
AlkaPlorer ID: AK305826
Synonym: 10-Hydroxyisotalatizidine
IUPAC Name: 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
Structure
SMILES: CCN1CC2(COC)CCC(O)C34C1C(CC23)C1(O)CC(OC)C2CC4(O)C1C2O
InChI: InChI=1S/C23H37NO6/c1-4-24-10-20(11-29-2)6-5-16(25)23-15(20)7-13(19(23)24)21(27)9-14(30-3)12-8-22(23,28)18(21)17(12)26/h12-19,25-28H,4-11H2,1-3H3
InChIKey: MRRCEBWYLXRYLK-UHFFFAOYSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 14287788
LOTUS: LTS0120368
COCONUT: CNP0120478.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5500000000002
TPSA？: 102.62000000000002
MolLogP？: -0.0079999999999983
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|