(3R,8R)-14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-4-one
| Internal ID | 85ee0018-84f0-4fad-9a95-8e05b92829ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3R,8R)-14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-4-one |
| SMILES (Canonical) | CC(C)C1=C(C(=C2CC3C(CCC2=C1)C(CCC3=O)(C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C[C@@H]3[C@@H](CCC2=C1)C(CCC3=O)(C)C)O)O |
| InChI | InChI=1S/C20H28O3/c1-11(2)13-9-12-5-6-16-15(10-14(12)19(23)18(13)22)17(21)7-8-20(16,3)4/h9,11,15-16,22-23H,5-8,10H2,1-4H3/t15-,16-/m1/s1 |
| InChI Key | NZIDMQCQQKMDNX-HZPDHXFCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (3R,8R)-14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/0c57bc10-8618-11ee-ac08-17441d99c295.jpg "2D Structure of (3R,8R)-14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.57% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.34% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.17% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.17% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.13% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.00% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.70% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.98% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.92% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.47% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.71% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.50% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.47% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.94% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.51% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.27% | 98.75% |
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.
| Premna serratifolia |
| Rosmarinus officinalis |
| PubChem | 162975815 |
| LOTUS | LTS0191455 |
| wikiData | Q105188049 |