None
AlkaPlorer ID: AK322967
Synonym: None
IUPAC Name: [(1S,16R,17R,18S,19S)-16,17-diacetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraen-18-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C2=CCN3C(=O)C4=CC5=C(C=C4[C@H]1[C@@H]23)OCO5
InChI: InChI=1S/C22H21NO9/c1-9(24)30-19-12-4-5-23-18(12)17(20(31-10(2)25)21(19)32-11(3)26)13-6-15-16(29-8-28-15)7-14(13)22(23)27/h4,6-7,17-21H,5,8H2,1-3H3/t17-,18+,19+,20-,21-/m0/s1
InChIKey: XXDFTEQEIFUFHH-ZPAWYTMASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 443.4080000000002
TPSA？: 117.67000000000002
MolLogP？: 1.072
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | T98G | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Mus musculus | B16-F10 | GI50 | 83000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| None | NON-PROTEIN TARGET | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |