(1S,2R,3S,5R,6S,8S,9S,10R,13S,16R,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-one
AlkaPlorer ID: AK482254
Synonym: None
IUPAC Name: 11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
Structure
SMILES: CCN1CC2(COC)CCC(O)C34C5CC6C(=O)C5C(O)(CC6OC)C(CC23)C14
InChI: InChI=1S/C23H35NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-18,20,25,27H,4-11H2,1-3H3
InChIKey: OSLKTTGZLRCUHJ-UHFFFAOYSA-N
Reference
Alkaloids ofAconitum saposhnikovii andA. karacolicum
PubChem CID: 162873976
LOTUS: LTS0018524
COCONUT: CNP0138884.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum nemorum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.53500000000014
TPSA？: 79.23
MolLogP？: 1.0853000000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|