Phomopyronol; (ξ)-form, O-(5-Oxo-2-pyrrolidinecarbonyl)
AlkaPlorer ID: AK310236
Synonym: Phomopyronyl pyroglutamate, O-Pyroglutamylphomopyronol
IUPAC Name: 3-(4-methoxy-5-methyl-6-oxopyran-2-yl)butyl 5-oxopyrrolidine-2-carboxylate
Structure
SMILES: COC1=C(C)C(=O)OC(C(C)CCOC(=O)C2CCC(=O)N2)=C1
InChI: InChI=1S/C16H21NO6/c1-9(12-8-13(21-3)10(2)15(19)23-12)6-7-22-16(20)11-4-5-14(18)17-11/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKey: IRPCTYMYWHNQOF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colletotrichum sp. | Colletotrichum | Glomerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 323.345
TPSA？: 94.84
MolLogP？: 1.2722199999999997
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|