None
AlkaPlorer ID: AK324097
Synonym: None
IUPAC Name: (1R,2R,4R,6R,7S,11S,16R)-1,7,11,15,15-pentamethyl-6-(5-oxo-1,2-dihydropyrrol-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-9,12-diene-14,18-dione
Structure
SMILES: CC1(C)C(=O)C=C[C@]2(C)C3=CC[C@@]4(C)[C@H](C5=CCN=C5O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12
InChI: InChI=1S/C26H31NO4/c1-22(2)17-13-19(29)25(5)16(23(17,3)9-7-18(22)28)6-10-24(4)15(12-20-26(24,25)31-20)14-8-11-27-21(14)30/h6-9,15,17,20H,10-13H2,1-5H3,(H,27,30)/t15-,17-,20+,23+,24-,25-,26+/m0/s1
InChIKey: QBINHQHKQOSSSV-QLZFYQGQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Toona ciliata | Toona | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.5370000000002
TPSA？: 79.25999999999999
MolLogP？: 4.143500000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
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 |