Oryzamide B
AlkaPlorer ID: AK104985
Synonym: None
IUPAC Name: (3S,6S,9R,12S,19S)-3-[(4-hydroxyphenyl)methyl]-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CCCCCC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC2=CC=C(O)C=C2)C(=O)O1
InChI: InChI=1S/C36H57N5O8/c1-8-9-10-11-12-23(6)29-19-30(43)37-20-31(44)41-32(22(4)5)35(47)39-27(17-21(2)3)34(46)38-24(7)33(45)40-28(36(48)49-29)18-25-13-15-26(42)16-14-25/h13-16,21-24,27-29,32,42H,8-12,17-20H2,1-7H3,(H,37,43)(H,38,46)(H,39,47)(H,40,45)(H,41,44)/t23-,24-,27+,28-,29-,32-/m0/s1
InChIKey: CKGVVIAXAMPILO-PIQMYNCNSA-N
Reference
Oryzamides A–E, Cyclodepsipeptides from the Sponge-Derived Fungus <i>Nigrospora oryzae</i> PF18
PubChem CID: 134154551
LOTUS: LTS0026045
NPASS: NPC487156
{NPAtlas: NPA021992
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigrospora oryzae | Nigrospora | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 687.8790000000002
TPSA？: 209.48
MolLogP？: 6.835600000000007
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.6b00349 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.6b00349 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00349 |
| None | NON-PROTEIN TARGET | IC50 | 12400.0 | nM | 10.1021/acs.jnatprod.6b00349 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00349 |