None
AlkaPlorer ID: AK322968
Synonym: None
IUPAC Name: (1S,16R,17R,18S,19S)-16,17,18-trihydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraen-11-one
Structure
SMILES: O=C1C2=CC3=C(C=C2[C@@H]2[C@H](O)[C@@H](O)[C@H](O)C4=CCN1[C@H]42)OCO3
InChI: InChI=1S/C16H15NO6/c18-13-6-1-2-17-12(6)11(14(19)15(13)20)7-3-9-10(23-5-22-9)4-8(7)16(17)21/h1,3-4,11-15,18-20H,2,5H2/t11-,12+,13+,14-,15-/m0/s1
InChIKey: TUXCHJPMMXITKX-QRTUWBSPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 317.2970000000001
TPSA？: 99.46
MolLogP？: -0.6404000000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
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 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| None | NON-PROTEIN TARGET | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |