Paraphaeosphaeride A
AlkaPlorer ID: AK099974
Synonym: None
IUPAC Name: (1S,4S,5S)-5-hydroxy-5-methyl-6,8-dioxo-4-pentyl-3-oxa-12-thia-9-azatricyclo[7.4.0.02,7]trideca-2(7),10-diene-10-carboxylic acid
Structure
SMILES: CCCCC[C@@H]1OC2=C(C(=O)N3C(C(=O)O)=CSC[C@H]23)C(=O)[C@@]1(C)O
InChI: InChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1
InChIKey: GLOXYNJNKIDEIR-NVTQBHAOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paraphaeosphaeria neglecta | Paraphaeosphaeria | Didymosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 367.4230000000001
TPSA？: 104.14
MolLogP？: 1.4233
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|