JBIR 22
AlkaPlorer ID: AK303282
Synonym: None
IUPAC Name: 2-hydroxy-2-[[4-[hydroxy-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-3-methylbutanoic acid
Structure
SMILES: CC1C=CC2CCCCC2C1C(O)=C1C(=O)C(CC(O)(C(=O)O)C(C)C)N(C)C1=O
InChI: InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-17,26,30H,5-8,11H2,1-4H3,(H,28,29)
InChIKey: DIFKWHRMEGFLSD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verticillium sp. | Verticillium | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 419.5180000000002
TPSA？: 115.14
MolLogP？: 2.698500000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|