Methyl isopimarate
| Internal ID | a426016d-23e5-456e-af74-40978d6dbeae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate |
| SMILES (Canonical) | CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)OC)C)C1)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C1)C=C |
| InChI | InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1 |
| InChI Key | QMZKBAQNFAMESG-GBMAXXPESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O2 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.60 |
| 1686-62-0 |
| methyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate |
| (1R)-7alpha-Ethenyl-1,2,3,4,4a,4balpha,5,6,7,8,10,10aalpha-dodecahydro-1,4abeta,7-trimethyl-1alpha-phenanthrenecarboxyl |
| Methyl (1R-(1alpha,4abeta,4balpha,7alpha,10aalpha))-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylate |
| DTXSID80937507 |
| QMZKBAQNFAMESG-GBMAXXPESA-N |
| Methyl pimara-7,15-dien-18-oate |
| Methyl 7,15-Isopimaradien-18-oate |
| 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R-(1alpha,4abeta,4balpha,7alpha,10aalpha))- |
| 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 | 96.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.86% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.23% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.82% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.06% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.58% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.20% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.07% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.83% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.35% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.05% | 93.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.97% | 92.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.95% | 90.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.93% | 86.67% |
| CHEMBL5028 | O14672 | ADAM10 | 80.67% | 97.50% |
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.
| Artemisia tridentata |
| Cleonia lusitanica |
| Juniperus communis |
| Pinus koraiensis |
| Pinus sylvestris var. hamata |
| PubChem | 3032412 |
| LOTUS | LTS0179099 |
| wikiData | Q82913727 |