6,10-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
| Internal ID | ff03cf4f-1e92-4f16-a8fd-707304e83e5d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6,10-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC1(CCCC2(C1=C(C(=O)C3=CC(=C(C=C32)O)C(C)(C)O)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1=C(C(=O)C3=CC(=C(C=C32)O)C(C)(C)O)O)C)C |
| InChI | InChI=1S/C20H26O4/c1-18(2)7-6-8-20(5)12-10-14(21)13(19(3,4)24)9-11(12)15(22)16(23)17(18)20/h9-10,21,23-24H,6-8H2,1-5H3 |
| InChI Key | RBIJNXWWDBHDQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.40 |
| 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 | 99.25% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.83% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.34% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.87% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.64% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.14% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.39% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.92% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.11% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.56% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.17% | 85.14% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.92% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.82% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.76% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.49% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.39% | 94.73% |
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 | 162943066 |
| LOTUS | LTS0225020 |
| wikiData | Q105233133 |