CID 163049495
Internal ID | f638fced-91d3-4627-88d8-3982b0504b4f |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
IUPAC Name | |
SMILES (Canonical) | CC(=O)OC1C2C(CCC3(C(O3)CCC2=C)C)C(=CO1)C(CC=C=C)OC(=O)C |
SMILES (Isomeric) | CC(=O)OC1C2C(CCC3(C(O3)CCC2=C)C)C(=CO1)C(CC=C=C)OC(=O)C |
InChI | InChI=1S/C23H30O6/c1-6-7-8-19(27-15(3)24)18-13-26-22(28-16(4)25)21-14(2)9-10-20-23(5,29-20)12-11-17(18)21/h7,13,17,19-22H,1-2,8-12H2,3-5H3 |
InChI Key | AXCVWYLTRALNIP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H30O6 |
Molecular Weight | 402.50 g/mol |
Exact Mass | 402.20423867 g/mol |
Topological Polar Surface Area (TPSA) | 74.40 Ų |
XlogP | 2.20 |
There are no found synonyms. |
![2D Structure of CID 163049495 2D Structure of CID 163049495](https://plantaedb.com/storage/docs/compounds/2023/11/cid-163049495.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.03% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.09% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.34% | 97.25% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.35% | 91.19% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.65% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.09% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.25% | 89.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.84% | 97.28% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
CHEMBL5028 | O14672 | ADAM10 | 81.97% | 97.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.59% | 100.00% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.51% | 89.05% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Artemisia vulgaris |
PubChem | 163049495 |
LOTUS | LTS0187756 |
wikiData | Q105150727 |