None
AlkaPlorer ID: AK324098
Synonym: None
IUPAC Name: 4-[(1S,2R,3R,4R,7S,10S,12R,14S,15R,17R,19S,20R)-3,4,10,20-tetrahydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icos-8-en-15-yl]-1,2-dihydropyrrol-5-one
Structure
SMILES: C[C@]12[C@H]3[C@@H](C[C@@]4(C)[C@H](C5=CCN=C5O)C[C@H]5O[C@]54[C@]3(C)O)O[C@@]1(O)C=C[C@]1(C)OC(=O)[C@H](O)[C@]21O
InChI: InChI=1S/C25H31NO9/c1-19-10-13-15(22(4,30)25(19)14(34-25)9-12(19)11-5-8-26-17(11)28)21(3)23(31,33-13)7-6-20(2)24(21,32)16(27)18(29)35-20/h5-7,12-16,27,30-32H,8-10H2,1-4H3,(H,26,28)/t12-,13+,14+,15+,16-,19-,20-,21-,22+,23-,24+,25+/m0/s1
InChIKey: UJKGPTIEERQCCL-KQDXWANVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Toona ciliata | Toona | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.5210000000002
TPSA？: 161.57
MolLogP？: -0.111399999999999
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
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 |