9-(Hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrobenzo[a]anthracene-8,11-dione
| Internal ID | 7ad3f20d-cebd-43ac-88b4-7057fc1653e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrobenzo[a]anthracene-8,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O3/c1-21(2)7-4-8-22(3)17-11-15-16(9-13(17)5-6-19(21)22)20(25)14(12-23)10-18(15)24/h9-11,19,23H,4-8,12H2,1-3H3 |
| InChI Key | FTPYFKFDSUGCPB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O3 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 9-(Hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrobenzo[a]anthracene-8,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9-hydroxymethyl-4412b-trimethyl-1234a56-hexahydrobenzoaanthracene-811-dione.jpg "2D Structure of 9-(Hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrobenzo[a]anthracene-8,11-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.55% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.51% | 83.82% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.27% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.98% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.71% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.79% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.21% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.88% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.90% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.78% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.61% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.77% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.07% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.18% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.16% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.13% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.62% | 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.
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| There are no matching plants. |
| PubChem | 74318768 |
| LOTUS | LTS0112490 |
| wikiData | Q104166766 |