(1R,2S,7S,10S,12R,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
| Internal ID | 276419ee-04a5-4be8-a559-859a85a62b5d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | (1R,2S,7S,10S,12R,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O2/c1-16(2)8-5-9-17(3)15(16)7-6-14-12-20(22)13-19(14,17)11-10-18(20,4)21/h14-15,21-22H,5-13H2,1-4H3/t14-,15-,17-,18-,19+,20+/m0/s1 |
| InChI Key | JACPJMMFBVQTHJ-AMQFHODYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,7S,10S,12R,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s7s10s12r13s-26613-tetramethyltetracyclo10310110027hexadecane-1213-diol.jpg "2D Structure of (1R,2S,7S,10S,12R,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.24% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.73% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.08% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.22% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.92% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.85% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.10% | 96.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.27% | 99.18% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.85% | 94.75% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.81% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.57% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.66% | 96.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.45% | 95.38% |
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.
| Stemodia durantifolia |
| PubChem | 14845625 |
| LOTUS | LTS0092246 |
| wikiData | Q105123676 |