Squalestatin U
AlkaPlorer ID: AK385206
Synonym: None
IUPAC Name: 1-(4-acetamido-5-methyl-3-methylidene-6-phenylhexyl)-4,7-dihydroxy-6-(3-hydroxy-4,6-dimethyloctanoyl)oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Structure
SMILES: C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)CC(O)C(C)CC(C)CC)C2O)C(N=C(C)O)C(C)CC1=CC=CC=C1
InChI: InChI=1S/C35H49NO14/c1-7-18(2)15-20(4)24(38)17-25(39)48-28-27(40)33(49-29(30(41)42)34(47,31(43)44)35(28,50-33)32(45)46)14-13-19(3)26(36-22(6)37)21(5)16-23-11-9-8-10-12-23/h8-12,18,20-21,24,26-29,38,40,47H,3,7,13-17H2,1-2,4-6H3,(H,36,37)(H,41,42)(H,43,44)(H,45,46)
InChIKey: GBGKTTJTBOSFMU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 707.7700000000002
TPSA？: 249.94
MolLogP？: 2.491600000000002
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|