None
AlkaPlorer ID: AK323437
Synonym: None
IUPAC Name: [(1S,3R,4R,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]-methylamino]prop-1-en-2-yl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] hydrogen carbonate
Structure
SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1C[C@@H](OC(=O)O)[C@@H](C)C2=O)OC
InChI: InChI=1S/C27H42ClNO7/c1-5-6-7-8-10-13-21(34-4)14-11-9-12-15-24(30)29(3)18-20(17-28)27-23(36-27)16-22(35-26(32)33)19(2)25(27)31/h9,11,17,19,21-23H,5-8,10,12-16,18H2,1-4H3,(H,32,33)/b11-9+,20-17-/t19-,21+,22-,23+,27+/m1/s1
InChIKey: SSZCSNIROXBDNA-OQJZQNPFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gracilaria coronopifolia | Gracilaria | Gracilariaceae | Gracilariales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 528.0860000000001
TPSA？: 105.67
MolLogP？: 5.479200000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | IC50 | 12000.0 | nM | 10.1021/np000037x |
| None | NON-PROTEIN TARGET | IC50 | 12000.0 | nM | 10.1021/np970423n |