None
AlkaPlorer ID: AK324095
Synonym: None
IUPAC Name: (1R,2S,8R,12R,13S,15R,17R,18S)-2,7,7,12,18-pentamethyl-17-(5-oxo-1,2-dihydropyrrol-4-yl)-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione
Structure
SMILES: CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CCN=C5O)C[C@H]5O[C@]54[C@]3(C)OC(=O)C[C@@H]12
InChI: InChI=1S/C26H33NO6/c1-22(2)17-13-20(29)33-25(5)16(23(17,3)9-7-19(28)32-22)6-10-24(4)15(12-18-26(24,25)31-18)14-8-11-27-21(14)30/h7-9,15-18H,6,10-13H2,1-5H3,(H,27,30)/t15-,16+,17-,18+,23+,24-,25+,26+/m0/s1
InChIKey: DIWLVCLOFAKXJW-OUNGYURYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Toona ciliata | Toona | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.5510000000003
TPSA？: 97.72
MolLogP？: 3.676400000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
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 |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.8b00954 |