4b,8,8-Trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,9-diol
| Internal ID | cbaa7f90-520e-493a-ad46-61e6e9991014 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,9-diol |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CC(C3C2(CCCC3(C)C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CC(C3C2(CCCC3(C)C)C)O)O |
| InChI | InChI=1S/C20H30O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,17-18,21-22H,6-8,10H2,1-5H3 |
| InChI Key | XEJHUBFVQWSNJW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
| 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 | 99.13% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.93% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.04% | 97.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.46% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.02% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.16% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.37% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.50% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.27% | 93.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.87% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.89% | 91.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.80% | 94.75% |
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.
| Cryptomeria japonica |
| Juniperus formosana |
| PubChem | 14378751 |
| LOTUS | LTS0130408 |
| wikiData | Q105326374 |