6,10-dihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
| Internal ID | 724f2d81-2d58-4191-bb2f-f45f4e1eb3d6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6,10-dihydroxy-5-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)O)OC)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)OC)O |
| InChI | InChI=1S/C21H28O4/c1-11(2)12-10-13-14(18(25-6)16(12)23)21(5)9-7-8-20(3,4)19(21)17(24)15(13)22/h10-11,23-24H,7-9H2,1-6H3 |
| InChI Key | BHSMLHMTPPELTD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.20 |
| 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 | 99.31% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.55% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.96% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.29% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.42% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.32% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.07% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.38% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.24% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.61% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.30% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.96% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.91% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.66% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.29% | 91.07% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.74% | 99.18% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.67% | 96.67% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.60% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.66% | 95.89% |
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 |
| PubChem | 162911524 |
| LOTUS | LTS0215732 |
| wikiData | Q104936202 |