methyl (1R,4aR,4bR,7R,9S,10aR)-7-ethenyl-9-methoxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
| Internal ID | 46c4c772-b01d-424e-9eca-927da53369a4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (1R,4aR,4bR,7R,9S,10aR)-7-ethenyl-9-methoxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate |
| SMILES (Canonical) | CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)C(=O)OC)C)OC)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@H]2C(=C1)[C@H](C[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)OC)C=C |
| InChI | InChI=1S/C22H34O3/c1-7-20(2)12-9-16-15(14-20)17(24-5)13-18-21(16,3)10-8-11-22(18,4)19(23)25-6/h7,14,16-18H,1,8-13H2,2-6H3/t16-,17-,18+,20-,21+,22+/m0/s1 |
| InChI Key | ZUSLUFQEEHEEBP-QPOFKBRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.10 |
| 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 | 96.35% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.08% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.33% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.77% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.73% | 93.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.67% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.19% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.83% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.85% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.22% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.07% | 94.33% |
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.
| Tetraclinis articulata |
| PubChem | 162816998 |
| LOTUS | LTS0136572 |
| wikiData | Q105384095 |