(7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl)methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate
| Internal ID | f282e924-6bfc-4590-b6a4-8040ad1ee227 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl)methyl 2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylate |
| SMILES (Canonical) | CC1CCC(C1C(=O)OCC2(CCCC3(C2CC=C4C3CCC(C4)(C)C=C)C)C)C(C)C=O |
| SMILES (Isomeric) | CC1CCC(C1C(=O)OCC2(CCCC3(C2CC=C4C3CCC(C4)(C)C=C)C)C)C(C)C=O |
| InChI | InChI=1S/C30H46O3/c1-7-28(4)16-13-24-22(17-28)10-12-25-29(5,14-8-15-30(24,25)6)19-33-27(32)26-20(2)9-11-23(26)21(3)18-31/h7,10,18,20-21,23-26H,1,8-9,11-17,19H2,2-6H3 |
| InChI Key | PSLAWDGDEIWCAF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 7.80 |
| 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 | 97.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.26% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.79% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.60% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.17% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.49% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.96% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.91% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.84% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.25% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.21% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 86.25% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.21% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.08% | 95.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.08% | 90.24% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.27% | 96.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.66% | 96.47% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.18% | 89.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.93% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.62% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.74% | 86.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.56% | 95.71% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.50% | 86.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.27% | 90.00% |
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.
| Nepeta tuberosa |
| PubChem | 14136834 |
| LOTUS | LTS0108246 |
| wikiData | Q105214244 |