14-norpseurotin A
AlkaPlorer ID: AK052718
Synonym: None
IUPAC Name: (5S,8S,9R)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxypent-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Structure
SMILES: C/C=C\[C@H](O)[C@H](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/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13-,14-,18+,20+,21+/m0/s1
InChIKey: FCGCMRDADMTJIM-LFDIKFNASA-N
Reference
Bioactive Alkaloids from Endophytic <i>Aspergillus fumigatus</i>
PubChem CID: 24900163
LOTUS: LTS0048907
SuperNatural Ⅲ: SN0081812-02
NPASS: NPC146097
{NPAtlas: NPA007733
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Aspergillus sydowii | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 417.4140000000001
TPSA？: 145.88
MolLogP？: 0.4529999999999997
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 14970.0 | nM | 10.1021/np700737g |
| Escherichia coli | Escherichia coli | MIC | 3740.0 | nM | 10.1021/np700737g |
| Homo sapiens | K562 | IC50 | 41000.0 | nM | 10.1021/np800700e |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np800700e |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np800700e |
| Micrococcus luteus | Micrococcus luteus | MIC | 7490.0 | nM | 10.1021/np700737g |
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1021/np800700e |