None
AlkaPlorer ID: AK324096
Synonym: None
IUPAC Name: 3-[(1R,2R,8R,11R,12R,14R,16R,17S)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadec-3-en-16-yl]pyrrole-2,5-dione
Structure
SMILES: CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(O)=NC5=O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12
InChI: InChI=1S/C26H31NO6/c1-22(2)16-12-17(28)25(5)15(23(16,3)8-7-20(30)33-22)6-9-24(4)14(11-18-26(24,25)32-18)13-10-19(29)27-21(13)31/h7-8,10,14-16,18H,6,9,11-12H2,1-5H3,(H,27,29,31)/t14-,15+,16-,18+,23+,24-,25-,26+/m0/s1
InChIKey: MQKCPVKVDKVHAN-CSHPKFBUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Toona ciliata | Toona | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 453.53500000000025
TPSA？: 105.56
MolLogP？: 3.476500000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |
| Homo sapiens | SW480 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |
| Mus musculus | RAW264.7 | Activity | 100.0 | % | 10.1021/acs.jnatprod.8b00954 |
| Mus musculus | RAW264.7 | IC50 | 28300.0 | nM | 10.1021/acs.jnatprod.8b00954 |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |