methyl (1R,4aR,4bS,7S,8aR,9R,10aS)-7-ethenyl-8a,9-dihydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylate
| Internal ID | 64493a9d-d711-4cf9-a9de-06dcd27a88f6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (1R,4aR,4bS,7S,8aR,9R,10aS)-7-ethenyl-8a,9-dihydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylate |
| SMILES (Canonical) | CC1(CCC2C3(CCCC(C3CC(C2(C1)O)O)(C)C(=O)OC)C)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@H]2[C@@]3(CCC[C@@]([C@H]3C[C@H]([C@]2(C1)O)O)(C)C(=O)OC)C)C=C |
| InChI | InChI=1S/C21H34O4/c1-6-18(2)11-8-14-19(3)9-7-10-20(4,17(23)25-5)15(19)12-16(22)21(14,24)13-18/h6,14-16,22,24H,1,7-13H2,2-5H3/t14-,15-,16+,18-,19-,20+,21+/m0/s1 |
| InChI Key | IPQZDVGFGITBKD-GVZGIGRWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O4 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.00 |
| 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 | 99.23% | 83.82% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.88% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.61% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.78% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.70% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.44% | 95.58% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.82% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.14% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.73% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.44% | 91.24% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.78% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.37% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.33% | 98.99% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.06% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.62% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.63% | 100.00% |
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.
| Mikania triangularis |
| PubChem | 162900353 |
| LOTUS | LTS0189812 |
| wikiData | Q105117433 |