Squalestatin H2; 12-Deoxy, 12-(acetylamino), 6-O-(4S,6S-dimethyl-2-octenoyl)
AlkaPlorer ID: AK314206
Synonym: Squalestatin S4
IUPAC Name: None
Structure
SMILES: C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)/C=C\C(C)CC(C)CC)C2O)C(NC(C)=O)C(C)CC1=CC=CC=C1
InChI: InChI=1S/C35H47NO13/c1-7-19(2)17-20(3)13-14-25(38)47-28-27(39)33(48-29(30(40)41)34(46,31(42)43)35(28,49-33)32(44)45)16-15-21(4)26(36-23(6)37)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,39,46H,4,7,15-18H2,1-3,5-6H3,(H,36,37)(H,40,41)(H,42,43)(H,44,45)/b14-13-
InChIKey: YGDFWLVAOLEXCM-YPKPFQOOSA-N
Reference
CAS: 158111-73-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoma sp. | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 689.7550000000001
TPSA？: 226.22
MolLogP？: 2.456500000000003
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|