11,15-Dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Internal ID | ee08f41b-2f3a-4568-96c7-dffa0e0f4cc2 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 11,15-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one |
SMILES (Canonical) | CC1(C2CCC34CC(CC(C3C2(CCC1=O)C)O)C(=C)C4O)C |
SMILES (Isomeric) | CC1(C2CCC34CC(CC(C3C2(CCC1=O)C)O)C(=C)C4O)C |
InChI | InChI=1S/C20H30O3/c1-11-12-9-13(21)16-19(4)7-6-15(22)18(2,3)14(19)5-8-20(16,10-12)17(11)23/h12-14,16-17,21,23H,1,5-10H2,2-4H3 |
InChI Key | ZEYLLKMAEPADQS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O3 |
Molecular Weight | 318.40 g/mol |
Exact Mass | 318.21949481 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 2.20 |
There are no found synonyms. |
![2D Structure of 11,15-Dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one 2D Structure of 11,15-Dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1115-dihydroxy-559-trimethyl-14-methylidenetetracyclo11210110049hexadecan-6-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 |
---|---|---|---|---|
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.01% | 94.75% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.04% | 82.69% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.14% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.15% | 96.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.52% | 96.38% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.68% | 95.38% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.57% | 100.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.00% | 93.03% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.53% | 96.43% |
CHEMBL2581 | P07339 | Cathepsin D | 82.95% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.82% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.54% | 95.56% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.52% | 97.05% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.54% | 90.17% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.21% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.89% | 94.45% |
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.
Isodon inflexus |
PubChem | 73798321 |
LOTUS | LTS0057165 |
wikiData | Q105373880 |