11-Methoxy-12-hydroxyabieta-8,11,13-trien-7-one
| Internal ID | f5284fcf-1844-4531-9689-c8a3d5cda622 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,10aS)-6-hydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)OC)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)OC)O |
| InChI | InChI=1S/C21H30O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)19(24-6)18(13)23/h10,12,16,23H,7-9,11H2,1-6H3/t16-,21-/m0/s1 |
| InChI Key | HOQDFKUSWWBYGK-KKSFZXQISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.60 |
| 11-Methoxy-12-hydroxyabieta-8,11,13-trien-7-one |
| 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 | 99.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.51% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.31% | 96.77% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.20% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.92% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.80% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.64% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.64% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.80% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.57% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.30% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.45% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.70% | 93.31% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.33% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.05% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.23% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.08% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.79% | 85.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.34% | 95.56% |
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.
| PubChem | 56683169 |
| NPASS | NPC309169 |
| ChEMBL | CHEMBL1813346 |
| LOTUS | LTS0181943 |
| wikiData | Q105031476 |