(1S,11S)-4-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol
| Internal ID | 84215f8c-d772-4afc-9939-21f228ecb975 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,11S)-4-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-17-20(3,4)9-6-10-21(17,23)12-16(14)19(24-5)18(15)22/h11,13,17,22-23H,6-10,12H2,1-5H3/t17-,21-/m0/s1 |
| InChI Key | CITPLPFXKJWKOQ-UWJYYQICSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (1S,11S)-4-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s11s-4-methoxy-1212-dimethyl-6-propan-2-yltricyclo940038pentadeca-357-triene-15-diol.jpg "2D Structure of (1S,11S)-4-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol")
| 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 | 99.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.61% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.23% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.63% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.33% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.82% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.16% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.77% | 99.15% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.51% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.32% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.64% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.53% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.22% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.16% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.84% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.60% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.62% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.66% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.44% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.92% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.89% | 91.07% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.60% | 95.56% |
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.
| Lepechinia meyenii |
| PubChem | 101607179 |
| LOTUS | LTS0105117 |
| wikiData | Q104960267 |