methyl 5-(2-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpentanoate
| Internal ID | 964b9225-912b-471b-bc25-93012b24c984 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5-(2-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpentanoate |
| SMILES (Canonical) | CC(CCC1C2(CCCC(C2C=CC1(C)OC)(C)C)C)CC(=O)OC |
| SMILES (Isomeric) | CC(CCC1C2(CCCC(C2C=CC1(C)OC)(C)C)C)CC(=O)OC |
| InChI | InChI=1S/C22H38O3/c1-16(15-19(23)24-6)9-10-18-21(4)13-8-12-20(2,3)17(21)11-14-22(18,5)25-7/h11,14,16-18H,8-10,12-13,15H2,1-7H3 |
| InChI Key | GLCPAKRBJQFMMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H38O3 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.84% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.12% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 89.55% | 94.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.70% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.33% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.27% | 97.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.95% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.70% | 90.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.90% | 94.00% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.61% | 97.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.44% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.08% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.01% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.93% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.57% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.52% | 95.50% |
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.
| Cistus ladanifer |
| PubChem | 163067793 |
| LOTUS | LTS0150763 |
| wikiData | Q105010786 |