6,8-Dihydroxy-7-(2-hydroxypropyl)-5-methoxy-1,2,4a-trimethyl-3,4-dihydrophenanthren-9-one
| Internal ID | 2ae1387c-fb98-4111-905c-ec1a32b779a0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6,8-dihydroxy-7-(2-hydroxypropyl)-5-methoxy-1,2,4a-trimethyl-3,4-dihydrophenanthren-9-one |
| SMILES (Canonical) | CC1=C(C2=CC(=O)C3=C(C2(CC1)C)C(=C(C(=C3O)CC(C)O)O)OC)C |
| SMILES (Isomeric) | CC1=C(C2=CC(=O)C3=C(C2(CC1)C)C(=C(C(=C3O)CC(C)O)O)OC)C |
| InChI | InChI=1S/C21H26O5/c1-10-6-7-21(4)14(12(10)3)9-15(23)16-17(21)20(26-5)19(25)13(18(16)24)8-11(2)22/h9,11,22,24-25H,6-8H2,1-5H3 |
| InChI Key | LUERTSKEFYQLBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.10 |
| 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 | 97.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.98% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.86% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.19% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.17% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.01% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.13% | 86.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.51% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.18% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.10% | 98.75% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.85% | 95.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.34% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.70% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.63% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.51% | 92.68% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.44% | 96.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.06% | 91.07% |
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.
| Clerodendrum kaichianum |
| PubChem | 163026933 |
| LOTUS | LTS0121507 |
| wikiData | Q105157376 |