Abieta-8,11,13-trien-3-one
| Internal ID | 70482489-cfc0-4623-a349-733a29f41ca6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C |
| InChI | InChI=1S/C20H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17H,7,9-11H2,1-5H3 |
| InChI Key | ANVLVIISBTWDRN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.20 |
| ANVLVIISBTWDRN-UHFFFAOYSA-N |
| 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 | 97.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.62% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.17% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.53% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.13% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.53% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.97% | 94.75% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.76% | 95.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.48% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.56% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.57% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.50% | 97.25% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.43% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.87% | 97.09% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.85% | 93.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.77% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.49% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.46% | 85.30% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.40% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.58% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.27% | 98.75% |
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.
| Juniperus sabina |
| PubChem | 14633216 |
| LOTUS | LTS0208885 |
| wikiData | Q104915467 |