2,12,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-dione
Internal ID | 75c1e614-6bfb-49f7-9d81-c0222f0667e9 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 2,12,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-dione |
SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2C(=O)C(C(C3O)C(=C)C4=O)O)O)C)C |
SMILES (Isomeric) | CC1(CCCC2(C1CC(C34C2C(=O)C(C(C3O)C(=C)C4=O)O)O)C)C |
InChI | InChI=1S/C20H28O5/c1-9-12-13(22)14(23)15-19(4)7-5-6-18(2,3)10(19)8-11(21)20(15,16(9)24)17(12)25/h10-13,15,17,21-22,25H,1,5-8H2,2-4H3 |
InChI Key | MUBYXQHOQJVLBR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O5 |
Molecular Weight | 348.40 g/mol |
Exact Mass | 348.19367399 g/mol |
Topological Polar Surface Area (TPSA) | 94.80 Ų |
XlogP | 1.60 |
There are no found synonyms. |
![2D Structure of 2,12,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-dione 2D Structure of 2,12,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/21216-trihydroxy-559-trimethyl-14-methylidenetetracyclo11210110049hexadecane-1115-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 | 98.16% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.88% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 88.37% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.78% | 96.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.14% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.84% | 94.45% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.85% | 93.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
CHEMBL238 | Q01959 | Dopamine transporter | 81.90% | 95.88% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.86% | 100.00% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.64% | 96.38% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.60% | 93.04% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.49% | 89.00% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.48% | 99.29% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.01% | 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.
Isodon phyllostachys |
PubChem | 56677494 |
LOTUS | LTS0183395 |
wikiData | Q105172063 |