Methyl 4,10-dihydroxy-2,7,11,16-tetramethyl-15-(4-oxo-3-propan-2-ylcyclopent-2-en-1-yl)-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-ene-7-carboxylate
| Internal ID | 31739497-ebc3-47ff-b122-69c12d88bb81 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 4,10-dihydroxy-2,7,11,16-tetramethyl-15-(4-oxo-3-propan-2-ylcyclopent-2-en-1-yl)-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-ene-7-carboxylate |
| SMILES (Canonical) | CC(C)C1=CC(CC1=O)C2CC=C3C2(CCC4C3(C(CC5C4(CC(OCC5(C)C(=O)OC)O)C)O)C)C |
| SMILES (Isomeric) | CC(C)C1=CC(CC1=O)C2CC=C3C2(CCC4C3(C(CC5C4(CC(OCC5(C)C(=O)OC)O)C)O)C)C |
| InChI | InChI=1S/C31H46O6/c1-17(2)19-12-18(13-21(19)32)20-8-9-22-28(20,3)11-10-23-29(4)15-26(34)37-16-30(5,27(35)36-7)24(29)14-25(33)31(22,23)6/h9,12,17-18,20,23-26,33-34H,8,10-11,13-16H2,1-7H3 |
| InChI Key | IDMWOHXJYNRHRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O6 |
| Molecular Weight | 514.70 g/mol |
| Exact Mass | 514.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of Methyl 4,10-dihydroxy-2,7,11,16-tetramethyl-15-(4-oxo-3-propan-2-ylcyclopent-2-en-1-yl)-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-ene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/e2a8ead0-8388-11ee-83ab-1b758e2a58a1.jpg "2D Structure of Methyl 4,10-dihydroxy-2,7,11,16-tetramethyl-15-(4-oxo-3-propan-2-ylcyclopent-2-en-1-yl)-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-ene-7-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.39% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.35% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.86% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.28% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.29% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.26% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.99% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.75% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.75% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.32% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.87% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.77% | 91.19% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.10% | 89.05% |
| CHEMBL5028 | O14672 | ADAM10 | 84.85% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.77% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.70% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.89% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.32% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.38% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.12% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.95% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.61% | 93.67% |
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.
| Dysoxylum acutangulum |
| PubChem | 74951604 |
| LOTUS | LTS0204119 |
| wikiData | Q105111426 |