3-(acetyloxy)-9,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,?.0?,¹?.0?,¹?.0?,¹?.0¹?,¹?]nonadecan-19-yl acetate
AlkaPlorer ID: AK261441
Synonym: None
IUPAC Name: (19-acetyloxy-9,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) acetate
Structure
SMILES: C=C1CC23CC4C5C6(C)CC(OC(C)=O)CC57C2C(OC(C)=O)C1C(O)C3(O)C7N4C6
InChI: InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(31-12(3)27)15(10)19(28)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3
InChIKey: FWYGVCOTAAEFJY-UHFFFAOYSA-N
Reference
A new hetisine-type diterpenoid alkaloid from <i>Aconitum coreanum</i>
PubChem CID: 25097891
LOTUS: LTS0020104
COCONUT: CNP0298090
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum coreanum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.51300000000015
TPSA？: 96.3
MolLogP？: 1.0205
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|