9-deoxy-PF1233 A
AlkaPlorer ID: AK009309
Synonym: None
IUPAC Name: [(1R,4S,7S,9S)-4-benzyl-1-(2-methylbut-3-en-2-yl)-3,6-dioxo-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl] acetate
Structure
SMILES: C=CC(C)(C)[C@]12NC3=CC=CC=C3[C@@]1(OC(C)=O)C[C@H]1C(=O)O[C@@H](CC3=CC=CC=C3)C(=O)N12
InChI: InChI=1S/C27H28N2O5/c1-5-25(3,4)27-26(34-17(2)30,19-13-9-10-14-20(19)28-27)16-21-24(32)33-22(23(31)29(21)27)15-18-11-7-6-8-12-18/h5-14,21-22,28H,1,15-16H2,2-4H3/t21-,22-,26-,27+/m0/s1
InChIKey: ORUUOHWWRMGNJL-RGXZNCPUSA-N
Reference
Dioxomorpholines and Derivatives from a Marine-Facultative <i>Aspergillus</i> Species
PubChem CID: 139589764
LOTUS: LTS0265552
{NPAtlas: NPA022413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. MEXU 27854 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 460.5300000000002
TPSA？: 84.93999999999998
MolLogP？: 3.5480000000000027
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|