5-Hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-8,11-dione
Internal ID | d59b01e0-d1f7-4868-8182-0d15b9f88383 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | 5-hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-8,11-dione |
SMILES (Canonical) | CC(C)C1(CCC2C(=C1)C(=O)C3C4C2(CCCC4(C(=O)O3)C)C)O |
SMILES (Isomeric) | CC(C)C1(CCC2C(=C1)C(=O)C3C4C2(CCCC4(C(=O)O3)C)C)O |
InChI | InChI=1S/C20H28O4/c1-11(2)20(23)9-6-13-12(10-20)14(21)15-16-18(13,3)7-5-8-19(16,4)17(22)24-15/h10-11,13,15-16,23H,5-9H2,1-4H3 |
InChI Key | UGRRLQKVGXWATD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O4 |
Molecular Weight | 332.40 g/mol |
Exact Mass | 332.19875937 g/mol |
Topological Polar Surface Area (TPSA) | 63.60 Ų |
XlogP | 3.40 |
There are no found synonyms. |
![2D Structure of 5-Hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-8,11-dione 2D Structure of 5-Hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-8,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-112-dimethyl-5-propan-2-yl-10-oxatetracyclo76102701216hexadec-6-ene-811-dione.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 | 95.31% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.09% | 95.89% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.41% | 82.69% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.94% | 97.14% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.90% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.42% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.30% | 97.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.79% | 91.07% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.77% | 93.03% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.44% | 96.21% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.36% | 93.04% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.81% | 93.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.59% | 89.00% |
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.
Juniperus chinensis |
Juniperus sabina |
PubChem | 162879102 |
LOTUS | LTS0201912 |
wikiData | Q105272522 |