1,2-O-Diacetylzephyranthine
AlkaPlorer ID: AK007728
Synonym: ''
IUPAC Name: [(1S,15R,17S,18S,19R)-18-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CC[C@H](C[C@@H]1OC(C)=O)[C@H]23)OCO4
InChI: InChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17+,18+,19-,20-/m1/s1
InChIKey: IUKYXZADSGGCJJ-OHNCIUIWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Narcissus tazetta | Narcissus | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.40500000000014
TPSA？: 74.3
MolLogP？: 1.9701
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Edwardsiella ictaluri | Edwardsiella ictaluri | MIC | 37.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| Flavobacterium columnare | Flavobacterium columnare | MIC | 37.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/jm901031h |
| Homo sapiens | SK-MEL-28 | IC50 | 10000.0 | nM | 10.1021/jm901031h |
| Mus musculus | B16-F10 | IC50 | 10000.0 | nM | 10.1021/jm901031h |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 37.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/jm901031h |