(1S,2R,3R,4S,5R,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-one
AlkaPlorer ID: AK376788
Synonym: None
IUPAC Name: 11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-one
Structure
SMILES: CCN1CC2CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(=O)C23)C14
InChI: InChI=1S/C23H35NO6/c1-5-24-10-11-6-7-15(29-3)22-13-8-12-14(28-2)9-21(26,17(13)18(12)30-4)23(27,20(22)24)19(25)16(11)22/h11-18,20,26-27H,5-10H2,1-4H3
InChIKey: FHZHJWOMIZAMOZ-UHFFFAOYSA-N
Reference
A new diterpenoid alkaloid from <i>Aconitum hemsleyanum</i>
PubChem CID: 162998598
CAS: 192386-08-6
LOTUS: LTS0020785
COCONUT: CNP0272184.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum septentrionale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.5340000000001
TPSA？: 88.46000000000001
MolLogP？: 0.4626000000000018
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|