Chasmanine
AlkaPlorer ID: AK010910
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,9R,13S,16S,17R,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O
InChI: InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1
InChIKey: DBODJJZRZFZBBD-RIVIBFSZSA-N
Reference
Diterpenoid alkaloids from <i>Delphinium gracile</i>
PubChem CID: 20055812
LOTUS: LTS0143542
NPASS: NPC139778
data_source: manually
Source
Properties Information
Molecule Weight: 451.6040000000002
TPSA？: 80.62
MolLogP？: 1.1561000000000017
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Tribolium castaneum | Tribolium castaneum | Activity | 53.29 | % | 10.1021/jf104879h |
| Tribolium castaneum | Tribolium castaneum | Activity | 61.64 | % | 10.1021/jf104879h |
| Tribolium castaneum | Tribolium castaneum | Activity | 69.59 | % | 10.1021/jf104879h |
| Tribolium castaneum | Tribolium castaneum | Activity | 72.47 | % | 10.1021/jf104879h |
| Tribolium castaneum | Tribolium castaneum | Activity | 90.55 | % | 10.1021/jf104879h |