9-Hydroxy-3-methyl-8,12-dimethylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-13-one
Internal ID | e30c9976-a87d-4121-96a8-cc4226823e5b |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | 9-hydroxy-3-methyl-8,12-dimethylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-13-one |
SMILES (Canonical) | CC12CC3C(CC(C(=C)CCC1O2)O)C(=C)C(=O)O3 |
SMILES (Isomeric) | CC12CC3C(CC(C(=C)CCC1O2)O)C(=C)C(=O)O3 |
InChI | InChI=1S/C15H20O4/c1-8-4-5-13-15(3,19-13)7-12-10(6-11(8)16)9(2)14(17)18-12/h10-13,16H,1-2,4-7H2,3H3 |
InChI Key | CDCBAZFKYUWUJE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H20O4 |
Molecular Weight | 264.32 g/mol |
Exact Mass | 264.13615911 g/mol |
Topological Polar Surface Area (TPSA) | 59.10 Ų |
XlogP | 1.30 |
There are no found synonyms. |
![2D Structure of 9-Hydroxy-3-methyl-8,12-dimethylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-13-one 2D Structure of 9-Hydroxy-3-methyl-8,12-dimethylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-hydroxy-3-methyl-812-dimethylidene-414-dioxatricyclo930035tetradecan-13-one.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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.31% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.79% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.39% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.52% | 99.23% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.79% | 93.03% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.51% | 97.14% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.37% | 96.43% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.64% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.49% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.46% | 100.00% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.35% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.28% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.04% | 91.24% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.88% | 86.33% |
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 anomala |
Calea szyszylowiczii |
PubChem | 162981496 |
LOTUS | LTS0232513 |
wikiData | Q104954202 |