Leptocillin
AlkaPlorer ID: AK304167
Synonym: MK 4588, Antibiotic MK 4588
IUPAC Name: 6-hydroxy-8-isocyano-8-[1-isocyano-2-(4-methoxyphenyl)ethenyl]bicyclo[4.2.0]oct-4-en-3-one
Structure
SMILES: [C-]#[N+]C(=CC1=CC=C(OC)C=C1)C1([N+]#[C-])CC2(O)C=CC(=O)CC21
InChI: InChI=1S/C19H16N2O3/c1-20-17(10-13-4-6-15(24-3)7-5-13)19(21-2)12-18(23)9-8-14(22)11-16(18)19/h4-10,16,23H,11-12H2,3H3
InChIKey: WUOCHBNTLPKWCP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptosphaeria sp. | Leptosphaeria | Leptosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 320.34800000000007
TPSA？: 55.25
MolLogP？: 2.893480000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|