8,11,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
Internal ID | 039d2685-7a80-4d7a-a337-9edb36e80d44 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 8,11,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
SMILES (Canonical) | CC1(CCC(C2(C1CCC34C2C(CC(C3O)C(=C)C4=O)O)C)O)C |
SMILES (Isomeric) | CC1(CCC(C2(C1CCC34C2C(CC(C3O)C(=C)C4=O)O)C)O)C |
InChI | InChI=1S/C20H30O4/c1-10-11-9-12(21)15-19(4)13(18(2,3)7-6-14(19)22)5-8-20(15,16(10)23)17(11)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3 |
InChI Key | IZMRXAKHHVUZIH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O4 |
Molecular Weight | 334.40 g/mol |
Exact Mass | 334.21440943 g/mol |
Topological Polar Surface Area (TPSA) | 77.80 Ų |
XlogP | 2.00 |
There are no found synonyms. |
![2D Structure of 8,11,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 2D Structure of 8,11,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/81116-trihydroxy-559-trimethyl-14-methylidenetetracyclo11210110049hexadecan-15-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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.25% | 83.82% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.88% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.35% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.41% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.14% | 100.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 86.89% | 96.43% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.21% | 94.75% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.83% | 97.05% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.80% | 95.56% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.16% | 93.04% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.44% | 96.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.49% | 93.03% |
CHEMBL299 | P17252 | Protein kinase C alpha | 81.25% | 98.03% |
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 | 56674805 |
LOTUS | LTS0021028 |
wikiData | Q105123311 |