2,11,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
Internal ID | 08597b04-b87e-463c-928a-58d344361999 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2C(C(C(C3O)C(=C)C4=O)O)O)O)C)C |
SMILES (Isomeric) | CC1(CCCC2(C1CC(C34C2C(C(C(C3O)C(=C)C4=O)O)O)O)C)C |
InChI | InChI=1S/C20H30O5/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/h10-15,17,21-23,25H,1,5-8H2,2-4H3 |
InChI Key | KULWEPZCKNERAS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O5 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of 2,11,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one 2D Structure of 2,11,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/2111216-tetrahydroxy-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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.00% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.51% | 91.11% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.76% | 96.38% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.56% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.46% | 100.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.38% | 91.49% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.54% | 93.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.33% | 93.04% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 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.
Isodon flexicaulis |
Isodon inflexus |
Isodon interruptus |
Isodon loxothyrsus |
Isodon parvifolius |
Isodon phyllostachys |
PubChem | 14466845 |
LOTUS | LTS0050803 |
wikiData | Q105146221 |