(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8,16-trihydroxy-4,6-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl 2-acetamidobenzoate
AlkaPlorer ID: AK335355
Synonym: None
IUPAC Name: (11-ethyl-3,8,16-trihydroxy-4,6-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl) 2-acetamidobenzoate
Structure
SMILES: CCN1CC2(OC(=O)C3=CC=CC=C3N=C(C)O)CCC(O)C34C1C(CC23)C1(O)CC(OC)C2CC4C1(O)C2OC
InChI: InChI=1S/C31H42N2O8/c1-5-33-15-28(41-27(36)17-8-6-7-9-20(17)32-16(2)34)11-10-24(35)30-22(28)13-19(25(30)33)29(37)14-21(39-3)18-12-23(30)31(29,38)26(18)40-4/h6-9,18-19,21-26,35,37-38H,5,10-15H2,1-4H3,(H,32,34)
InChIKey: AQKSTZMIVRWLML-UHFFFAOYSA-N
Reference
Diterpenoid alkaloids from Aconitum orientale
PubChem CID: 162938727
LOTUS: LTS0143590
COCONUT: CNP0208976.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum orientale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 570.6830000000004
TPSA？: 141.28
MolLogP？: 2.217
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|