None
AlkaPlorer ID: AK324429
Synonym: None
IUPAC Name: [(3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-9-acetyloxy-20-[(2E,4E)-hexa-2,4-dienyl]-7,15-dimethyl-2-oxo-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-10-yl] acetate
Structure
SMILES: C/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C(C)/C=C/C=C/C(O)=N1
InChI: InChI=1S/C31H39NO5/c1-6-7-8-9-19-28-20-13-10-16-24(2)17-11-14-21-29(36-26(4)33)30(37-27(5)34)23-25(3)18-12-15-22-31(35)32-28/h6-18,21-23,28-30H,19-20H2,1-5H3,(H,32,35)/b7-6+,9-8+,13-10+,17-11+,18-12+,21-14-,22-15+,24-16+,25-23+/t28-,29-,30+/m1/s1
InChIKey: ZBNBWEISXKHVHB-OLBCNJFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 505.6550000000003
TPSA？: 85.19
MolLogP？: 6.774600000000008
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Bacillus thuringiensis | Bacillus thuringiensis | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Candida albicans | Candida albicans | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Homo sapiens | MCF7 | IC50 | 15400.0 | nM | 10.1021/np400665a |
| Homo sapiens | NCI-H460 | IC50 | 56400.0 | nM | 10.1021/np400665a |
| Homo sapiens | SF-268 | IC50 | 23300.0 | nM | 10.1021/np400665a |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |