None
AlkaPlorer ID: AK323128
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@@]4(CC[C@]5(CC=C[C@@H](CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C
InChI: InChI=1S/C45H69NO12/c1-24-16-34-39-36(22-43(56-39)28(5)15-25(2)23-46-43)54-42(20-24,53-34)21-27(4)38-26(3)17-30(7)45(50,57-38)40(49)35-19-33-32(51-35)18-29(6)44(55-33)14-13-41(58-44)12-8-9-31(52-41)10-11-37(47)48/h8-9,24-26,28-36,38-40,46,49-50H,4,10-23H2,1-3,5-7H3,(H,47,48)/t24-,25+,26-,28-,29+,30+,31-,32+,33+,34+,35-,36+,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
InChIKey: ZACAZJIHLPHOFH-PSVIPBPDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azadinium spinosum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
| Azadinium spinosum | Azadinium | Amphidomataceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 816.042
TPSA？: 163.62999999999997
MolLogP？: 5.6996000000000056
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | EC50 | 180.0 | nM | 10.1021/np500555k |
| None | NON-PROTEIN TARGET | EC50 | 200.0 | nM | 10.1021/np500555k |
| None | NON-PROTEIN TARGET | EC50 | 230.0 | nM | 10.1021/np500555k |