9-deoxy-PF1233 B
AlkaPlorer ID: AK004778
Synonym: None
IUPAC Name: (1R,4S,7S,9S)-4-benzyl-9-hydroxy-1-(2-methylbut-3-en-2-yl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@]12NC3=CC=CC=C3[C@@]1(O)C[C@H]1C(=O)O[C@@H](CC3=CC=CC=C3)C(=O)N12
InChI: InChI=1S/C25H26N2O4/c1-4-23(2,3)25-24(30,17-12-8-9-13-18(17)26-25)15-19-22(29)31-20(21(28)27(19)25)14-16-10-6-5-7-11-16/h4-13,19-20,26,30H,1,14-15H2,2-3H3/t19-,20-,24-,25+/m0/s1
InChIKey: GBMUTTKBDFEONI-OTLGMJNYSA-N
Reference
Dioxomorpholines and Derivatives from a Marine-Facultative <i>Aspergillus</i> Species
PubChem CID: 139589763
LOTUS: LTS0165641
{NPAtlas: NPA022412
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. MEXU 27854 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 418.49300000000017
TPSA？: 78.86999999999999
MolLogP？: 2.9772000000000016
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|