Penicibrocazine B
AlkaPlorer ID: AK062911
Synonym: None
IUPAC Name: (1R,4R,5R,9S,11S,14S,15S)-5,15-dihydroxy-1-methylsulfanyl-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-16,18-diene-2,8,12-trione
Structure
SMILES: CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@H]1C[C@@H]3C(=O)CC[C@@H](O)[C@@H]3N1C2=O
InChI: InChI=1S/C19H22N2O5S/c1-27-19-8-9-3-2-4-13(23)15(9)21(19)17(25)11-7-10-12(22)5-6-14(24)16(10)20(11)18(19)26/h2-4,10-11,13-16,23-24H,5-8H2,1H3/t10-,11+,13+,14-,15+,16-,19-/m1/s1
InChIKey: FKGFNDCDCVJKOJ-LOVZFBTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brocae | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 390.4610000000002
TPSA？: 98.15
MolLogP？: -0.1731999999999999
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Gaeumannomyces graminis | Gaeumannomyces graminis | MIC | 0.25 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |