3-Methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol
| Internal ID | 79ad96b7-5aa8-43cb-b2d4-2a7b1b831b1f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCCC3(C)C)C)O)O)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCCC3(C)C)C)O)O)OC |
| InChI | InChI=1S/C21H32O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)18(23)19(13)24-6/h10,12,15-16,22-23H,7-9,11H2,1-6H3 |
| InChI Key | HCQUMJYLWCSLLR-UHFFFAOYSA-N |
| Popularity | 0 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 | 5.40 |
| 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 | 99.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.06% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.20% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.16% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.53% | 97.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.36% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.18% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.73% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.57% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.11% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.85% | 91.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.73% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.88% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.72% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.51% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.25% | 82.69% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.00% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.08% | 89.00% |
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.
| Capsicum annuum |
| Chamaecyparis obtusa |
| Juniperus formosana |
| Plectranthus elegans |
| Salvia leucantha |
| PubChem | 14827259 |
| LOTUS | LTS0211913 |
| wikiData | Q105284160 |