(1S,11S,15R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5,15-triol
| Internal ID | 1180b04a-1a7f-4add-8926-856ac2ab548e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,11S,15R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5,15-triol |
| SMILES (Canonical) | CC(C)C1=C(C=C2CC3(C(CCC2=C1)C(CCC3O)(C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C[C@@]3([C@@H](CCC2=C1)C(CC[C@H]3O)(C)C)O)O |
| InChI | InChI=1S/C20H30O3/c1-12(2)15-9-13-5-6-17-19(3,4)8-7-18(22)20(17,23)11-14(13)10-16(15)21/h9-10,12,17-18,21-23H,5-8,11H2,1-4H3/t17-,18+,20-/m0/s1 |
| InChI Key | XZPBNLXYAUDOFU-NSHGMRRFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,11S,15R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5,15-triol](https://plantaedb.com/storage/docs/compounds/2023/11/1s11s15r-1212-dimethyl-6-propan-2-yltricyclo940038pentadeca-357-triene-1515-triol.jpg "2D Structure of (1S,11S,15R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5,15-triol")
| 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 | 98.66% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.67% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.50% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.61% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.08% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.74% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.22% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.18% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.65% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.49% | 99.15% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.60% | 91.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.88% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.47% | 91.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.29% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.74% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.58% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.29% | 97.25% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.47% | 95.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.06% | 99.18% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.92% | 93.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.86% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.60% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.31% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.85% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.69% | 93.03% |
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.
| Chamaecyparis formosensis |
| PubChem | 100983032 |
| LOTUS | LTS0056606 |
| wikiData | Q105345083 |