Pyrrospirone O
AlkaPlorer ID: AK006909
Synonym: None
IUPAC Name: (3S,4R,5S,7R,9R,10R,11S,13R,14S,15S,16Z,20S,28R)-16,20-dihydroxy-5,7,9,11,14-pentamethyl-2,12-dioxa-19-azaheptacyclo[20.2.2.13,10.117,20.04,9.011,13.015,28]octacosa-1(25),16,22(26),23-tetraen-18-one
Structure
SMILES: C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@@H]4[C@H]([C@@H]([C@@H]5[C@]([C@H]4[C@@]2(C1)C)(O5)C)C)/C(=C/6\C[C@@](CC7=CC=C(O3)C=C7)(NC6=O)O)/O)C
InChI: InChI=1S/C30H39NO5/c1-14-10-15(2)22-24-21-20(16(3)26-29(5,36-26)25(21)28(22,4)11-14)23(32)19-13-30(34,31-27(19)33)12-17-6-8-18(35-24)9-7-17/h6-9,14-16,20-22,24-26,32,34H,10-13H2,1-5H3,(H,31,33)/b23-19-/t14-,15+,16+,20+,21+,22+,24+,25-,26-,28-,29+,30+/m1/s1
InChIKey: VZYOGXGVEZZUCQ-PCWCUZKESA-N
Reference
PubChem CID: 170990019
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 493.64400000000023
TPSA？: 91.32000000000001
MolLogP？: 4.368600000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus amyloliquefaciens | Bacillus amyloliquefaciens | MIC | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Bacillus subtilis | Bacillus subtilis | MIC | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Escherichia coli | Escherichia coli | MIC | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 50.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |
| Streptococcus agalactiae | Streptococcus agalactiae | MIC | 50.0 | ug.mL-1 | 10.1021/acs.jnatprod.2c00473 |