Spirolide E; 2,3-Dihydro
AlkaPlorer ID: AK039955
Synonym: Spirolide F
IUPAC Name: 5-[4-(4-amino-3-methylbutyl)-4-[5-[(12-hydroxy-2,12-dimethyl-4,6,8-trioxadispiro[4.1.57.25]tetradecan-9-yl)methyl]hex-5-enoyl]-3-(3-hydroxy-2-methylpent-1-enyl)-2-methylcyclohexen-1-yl]-3-methyloxolan-2-one
Structure
SMILES: C=C(CCCC(=O)C1(CCC(C)CN)CCC(C2CC(C)C(=O)O2)=C(C)C1C=C(C)C(O)CC)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1
InChI: InChI=1S/C43H69NO8/c1-9-36(45)30(5)22-35-32(7)34(37-23-31(6)39(47)50-37)15-18-41(35,17-13-28(3)25-44)38(46)12-10-11-27(2)21-33-14-16-40(8,48)43(51-33)20-19-42(52-43)24-29(4)26-49-42/h22,28-29,31,33,35-37,45,48H,2,9-21,23-26,44H2,1,3-8H3
InChIKey: DNNVOGNTTHKDBO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alexandrium ostenfeldii | Alexandrium | Pyrocystaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 728.024
TPSA？: 137.54
MolLogP？: 7.618200000000011
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|