14-Hydroxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,5,9,13-tetrone
| Internal ID | 9e5647a2-f7d9-4d77-8420-bedbfe82bb1e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 14-hydroxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,5,9,13-tetrone |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C3C=C(C(=O)C(C3=CC2=O)(C)C)O)C(=O)C1=O |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C3C=C(C(=O)C(C3=CC2=O)(C)C)O)C(=O)C1=O |
| InChI | InChI=1S/C20H18O5/c1-9(2)11-7-12-13(18(24)17(11)23)5-10-6-16(22)19(25)20(3,4)14(10)8-15(12)21/h5-9,22H,1-4H3 |
| InChI Key | KWYVPSVMYXZKBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 14-Hydroxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,5,9,13-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/ca4c1860-82d1-11ee-bd47-032329ab3d37.jpg "2D Structure of 14-Hydroxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,14-pentaene-4,5,9,13-tetrone")
| 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 | 96.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.64% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.22% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.36% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.93% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.33% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.06% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.72% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.66% | 85.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.31% | 90.24% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.20% | 96.38% |
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.
| Taxus cuspidata |
| PubChem | 135496174 |
| LOTUS | LTS0124554 |
| wikiData | Q105147215 |