(1S,11R)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-9-one
| Internal ID | af625c0f-8a83-4300-ab2d-21882a458bce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,11R)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-9-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2CC3CCCC(C3CC(=O)C2=C1)(C)C)OC |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C[C@@H]3CCCC([C@@H]3CC(=O)C2=C1)(C)C)OC |
| InChI | InChI=1S/C21H30O2/c1-13(2)16-11-17-15(10-20(16)23-5)9-14-7-6-8-21(3,4)18(14)12-19(17)22/h10-11,13-14,18H,6-9,12H2,1-5H3/t14-,18+/m0/s1 |
| InChI Key | GBHQYFDQBZMNFV-KBXCAEBGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (1S,11R)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s11r-5-methoxy-1212-dimethyl-6-propan-2-yltricyclo940038pentadeca-357-trien-9-one.jpg "2D Structure of (1S,11R)-5-methoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-9-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.39% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.41% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.91% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.28% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.85% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.82% | 96.21% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.92% | 93.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.36% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.28% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.32% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.09% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.04% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.73% | 96.86% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.98% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.52% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.23% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.86% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.84% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.17% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.91% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.89% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.85% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.53% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.43% | 93.04% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.00% | 96.38% |
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.
| Salvia coulteri |
| PubChem | 101666184 |
| LOTUS | LTS0080085 |
| wikiData | Q105005861 |