5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene
| Internal ID | 75ac12b6-619a-4ea4-9817-439bd1182b69 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C3CCCC(C3CCC2=C1)(C)C)OC)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C3CCCC(C3CCC2=C1)(C)C)OC)OC |
| InChI | InChI=1S/C21H32O2/c1-13(2)16-12-14-9-10-17-15(8-7-11-21(17,3)4)18(14)20(23-6)19(16)22-5/h12-13,15,17H,7-11H2,1-6H3 |
| InChI Key | BZXWGVDEEXLGAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O2 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 6.50 |
| 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 | 98.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.84% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.08% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.96% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.40% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.44% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.44% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.56% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.13% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.94% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.79% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.55% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.89% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.15% | 96.21% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.87% | 93.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.38% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.30% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.28% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.70% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.52% | 90.71% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.40% | 94.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.04% | 96.43% |
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.
| Rosmarinus officinalis |
| PubChem | 162909921 |
| LOTUS | LTS0097450 |
| wikiData | Q104950748 |