6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
| Internal ID | 1510d5ce-f8a6-442c-aabe-7c264ee24b16 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(=O)C=C3C2(CCCC3(C)C)C)OC |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C(=O)C=C3C2(CCCC3(C)C)C)OC |
| InChI | InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3 |
| InChI Key | UOTMTFHWVAHDHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.54% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.90% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.11% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.09% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.53% | 93.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.99% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.01% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.79% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.34% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.96% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.15% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.81% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.56% | 97.14% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.27% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.75% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.18% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.85% | 96.21% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.84% | 96.38% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.56% | 96.67% |
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 | 72797057 |
| LOTUS | LTS0171034 |
| wikiData | Q105276567 |