Pyrrospirone N
AlkaPlorer ID: AK008690
Synonym: None
IUPAC Name: (3S,4R,5S,7R,9R,10R,11S,12R,13R,14R,16S,19S)-10-acetyl-14-hydroxy-19-methoxy-5,7,9,13-tetramethyl-17,27-dioxo-2-oxa-18-azahexacyclo[19.2.2.112,16.116,19.03,11.04,9]heptacosa-1(24),21(25),22-triene-13-carbaldehyde
Structure
SMILES: C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@H]([C@H]4C(=O)[C@]5(C[C@H]([C@]4(C)C=O)O)C[C@@](CC6=CC=C(O3)C=C6)(NC5=O)OC)[C@H]([C@@]2(C1)C)C(=O)C)C
InChI: InChI=1S/C33H43NO7/c1-17-11-18(2)24-27-23(25(19(3)36)30(24,4)12-17)26-28(38)32(14-22(37)31(26,5)16-35)15-33(40-6,34-29(32)39)13-20-7-9-21(41-27)10-8-20/h7-10,16-18,22-27,37H,11-15H2,1-6H3,(H,34,39)/t17-,18+,22-,23+,24+,25-,26+,27+,30-,31+,32+,33+/m1/s1
InChIKey: KHVIXDAVPLFLHA-YUVYPMEWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 565.7070000000003
TPSA？: 119.00000000000003
MolLogP？: 3.5177000000000023
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus amyloliquefaciens | Bacillus amyloliquefaciens | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Bacillus subtilis | Bacillus subtilis | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Leukocyte common antigen | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 58000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Protein-tyrosine phosphatase 1C | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Homo sapiens | T-cell protein-tyrosine phosphatase | IC50 | 130000.0 | nM | 10.1021/acs.jnatprod.2c00473 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Streptococcus agalactiae | Streptococcus agalactiae | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |