None
AlkaPlorer ID: AK318466
Synonym: None
IUPAC Name: [(1R,3E,8S)-8-hydroxy-3,10,10-trimethyl-7-methylidenecycloundec-3-en-1-yl] (E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
Structure
SMILES: C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C/C2=CC=C(O)C([N+](=O)[O-])=C2)CC(C)(C)C[C@@H]1O
InChI: InChI=1S/C24H31NO6/c1-16-6-5-7-17(2)22(27)15-24(3,4)14-19(12-16)31-23(28)11-9-18-8-10-21(26)20(13-18)25(29)30/h6,8-11,13,19,22,26-27H,2,5,7,12,14-15H2,1,3-4H3/b11-9+,16-6+/t19-,22-/m0/s1
InChIKey: BEGNREDAIBTXLW-MBTPQOSNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pilea cavaleriei | Pilea | Urticaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.5130000000002
TPSA？: 109.9
MolLogP？: 5.079100000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | A549 | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | EJ | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | K562 | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | MCF7 | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | SGC-7901 | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Homo sapiens | SK-OV-3 | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | None | None | 10.1016/j.bmcl.2009.08.001 |
| None | NON-PROTEIN TARGET | IC50 | None | None | 10.1016/j.bmcl.2009.08.001 |