Abieta-8,11,13-trien-7-one
| Internal ID | 2f8007d1-bee4-4aca-b080-542f3c628dd8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C)C |
| InChI | InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3 |
| InChI Key | ISHVJVXYPLFKAL-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 | 6.00 |
| ISHVJVXYPLFKAL-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 | 97.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.68% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.33% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.85% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.48% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.30% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.21% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.19% | 94.80% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.14% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.11% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.69% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.61% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.29% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.70% | 93.04% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.43% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.14% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.70% | 86.33% |
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.
| Abies alba |
| Cedrus atlantica |
| Clerodendrum kaichianum |
| Cryptomeria japonica |
| Juniperus chinensis |
| Salvia amplexicaulis |
| Salvia broussonetii |
| PubChem | 11335109 |
| LOTUS | LTS0049518 |
| wikiData | Q105119528 |