(3-Methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-8-yl)methyl acetate
Internal ID | c80b156b-de6e-4a89-afa1-a9f86c5024a5 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | (3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-8-yl)methyl acetate |
SMILES (Canonical) | CC(=O)OCC1=CCC2C(CC3(C(O3)CC1)C)OC(=O)C2=C |
SMILES (Isomeric) | CC(=O)OCC1=CCC2C(CC3(C(O3)CC1)C)OC(=O)C2=C |
InChI | InChI=1S/C17H22O5/c1-10-13-6-4-12(9-20-11(2)18)5-7-15-17(3,22-15)8-14(13)21-16(10)19/h4,13-15H,1,5-9H2,2-3H3 |
InChI Key | PCJJNZDKLXQNIP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H22O5 |
Molecular Weight | 306.40 g/mol |
Exact Mass | 306.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 65.10 Ų |
XlogP | 1.70 |
There are no found synonyms. |
![2D Structure of (3-Methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-8-yl)methyl acetate 2D Structure of (3-Methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-8-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-methyl-12-methylidene-13-oxo-414-dioxatricyclo930035tetradec-8-en-8-ylmethyl-acetate.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.50% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.64% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.71% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.85% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 83.80% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.97% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.94% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.79% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.26% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.92% | 97.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.69% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.04% | 100.00% |
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.
Mikania cordata |
Mikania dusenii |
Mikania mendocina |
Mikania trachypleura |
PubChem | 162928149 |
LOTUS | LTS0124934 |
wikiData | Q105205780 |