3,6,14,16-Tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one
| Internal ID | 49e085f4-03c2-4730-98da-d52190c4f59a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids |
| IUPAC Name | 3,6,14,16-tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one |
| SMILES (Canonical) | CC1=CCC(C(C(=O)C(CC23C1CCC(C2O)C(C3)(C)O)O)(C)C)O |
| SMILES (Isomeric) | CC1=CCC(C(C(=O)C(CC23C1CCC(C2O)C(C3)(C)O)O)(C)C)O |
| InChI | InChI=1S/C20H32O5/c1-11-5-8-15(22)18(2,3)17(24)14(21)9-20-10-19(4,25)13(16(20)23)7-6-12(11)20/h5,12-16,21-23,25H,6-10H2,1-4H3 |
| InChI Key | ATAIPGKAEHVHFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 3,6,14,16-Tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/361416-tetrahydroxy-55914-tetramethyltricyclo11210110hexadec-8-en-4-one.jpg "2D Structure of 3,6,14,16-Tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one")
| 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 | 94.51% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.29% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.34% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.58% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.00% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.75% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.36% | 93.03% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.29% | 86.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.41% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.26% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.82% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.32% | 95.89% |
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.
| Leucothoe grayana |
| PubChem | 162855704 |
| LOTUS | LTS0109849 |
| wikiData | Q104918244 |