None
AlkaPlorer ID: AK323077
Synonym: None
IUPAC Name: (2S)-2-methyl-4-[(2S,8S,13S)-2,8,13-triazido-13-[(2R,5R)-5-[(1S)-1-azidotridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Structure
SMILES: CCCCCCCCCCCC[C@H](N=[N+]=[N-])[C@H]1CC[C@H]([C@H](CCCC[C@H](CCCCC[C@@H](CC2=C[C@H](C)OC2=O)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])O1
InChI: InChI=1S/C35H60N12O3/c1-3-4-5-6-7-8-9-10-11-15-21-31(42-46-38)33-23-24-34(50-33)32(43-47-39)22-17-16-19-29(40-44-36)18-13-12-14-20-30(41-45-37)26-28-25-27(2)49-35(28)48/h25,27,29-34H,3-24,26H2,1-2H3/t27-,29-,30-,31-,32-,33+,34+/m0/s1
InChIKey: DNASYEJYROGKNP-KSSUEACPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asimina triloba | Asimina | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 696.946
TPSA？: 230.57
MolLogP？: 12.333299999999983
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Thoracic aorta | Inhibition | 40.0 | % | 10.1021/acs.jnatprod.8b00284 |