4aH-Dibenzo[a,d]cycloheptene-4a,6,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, trans-(9CI)
| Internal ID | 987fe3bf-2588-4557-8173-c7fefb6d7bd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,4,5-triol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2CC3(CCCC(C3CCC2=C1)(C)C)O)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2CC3(CCCC(C3CCC2=C1)(C)C)O)O)O |
| InChI | InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-16-19(3,4)8-5-9-20(16,23)11-15(13)18(22)17(14)21/h10,12,16,21-23H,5-9,11H2,1-4H3 |
| InChI Key | XZANDTPHDIYTME-UHFFFAOYSA-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 | 4.70 |
| XZANDTPHDIYTME-UHFFFAOYSA-N |
| 4aH-Dibenzo[a,d]cycloheptene-4a,6,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, trans- (9CI) |
![2D Structure of 4aH-Dibenzo[a,d]cycloheptene-4a,6,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, trans-(9CI)](https://plantaedb.com/storage/docs/compounds/2023/11/66a1bd60-8686-11ee-9525-6174ecde81ce.jpg "2D Structure of 4aH-Dibenzo[a,d]cycloheptene-4a,6,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, trans-(9CI)")
| 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 | 99.47% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.30% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.61% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.76% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.33% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.18% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.96% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.44% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.09% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.54% | 93.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.06% | 91.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.66% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.46% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.37% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.39% | 99.15% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.05% | 96.77% |
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.
| Salvia broussonetii |
| Salvia mellifera |
| Salvia przewalskii |
| PubChem | 11809306 |
| LOTUS | LTS0175453 |
| wikiData | Q104978279 |