Pseurotin G
AlkaPlorer ID: AK106405
Synonym: None
IUPAC Name: (5R,8R,9S)-8-benzoyl-2-[(1Z,3Z)-1,4-dihydroxyhexa-1,3-dienyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Structure
SMILES: CC/C(O)=C/C=C(\O)C1=C(C)C(=O)[C@@]2(O1)C(O)=N[C@](OC)(C(=O)C1=CC=CC=C1)[C@H]2O
InChI: InChI=1S/C22H23NO8/c1-4-14(24)10-11-15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-8-6-5-7-9-13/h5-11,19,24-25,28H,4H2,1-3H3,(H,23,29)/b14-10-,15-11-/t19-,21-,22-/m0/s1
InChIKey: GZVIFRVZRUGJNO-VTMQAQRKSA-N
Reference
Angiogenesis Inhibitors and Anti-Inflammatory Agents from <i>Phoma</i> sp. NTOU4195
PubChem CID: 137655264
LOTUS: LTS0003277
NPASS: NPC487106
{NPAtlas: NPA022102
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoma sp. NTOU4195 | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 429.4250000000001
TPSA？: 145.88
MolLogP？: 2.4489000000000014
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | 97.6 | % | 10.1021/acs.jnatprod.6b00407 |
| Mus musculus | RAW264.7 | Emax | 63.1 | % | 10.1021/acs.jnatprod.6b00407 |
| Mus musculus | RAW264.7 | IC50 | 57000.0 | nM | 10.1021/acs.jnatprod.6b00407 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b00407 |
| None | Unchecked | IC50 | 16700.0 | nM | 10.1021/acs.jnatprod.6b00407 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00407 |