Methyl 10-hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Internal ID | 6cb498a6-4e70-43c4-a095-d622fbb47b90 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 10-hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(=C)C2CCC3(C1(C2)CCC4C3(CCCC4(C)C(=O)OC)C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(=C)C2CCC3(C1(C2)CCC4C3(CCCC4(C)C(=O)OC)C)O |
| InChI | InChI=1S/C26H38O5/c1-7-16(2)21(27)31-20-17(3)18-9-14-26(29)24(5)12-8-11-23(4,22(28)30-6)19(24)10-13-25(20,26)15-18/h7,18-20,29H,3,8-15H2,1-2,4-6H3 |
| InChI Key | YTLOZRSCDVGDQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O5 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of Methyl 10-hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6805b170-870f-11ee-820a-ab394242e036.jpg "2D Structure of Methyl 10-hydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.92% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.19% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.66% | 91.19% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.06% | 96.43% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.99% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.95% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.95% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.13% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.83% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.48% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.73% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.47% | 100.00% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 83.37% | 83.65% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.23% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.58% | 95.56% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.29% | 98.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.04% | 89.00% |
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.
| Gonzalezia hypargyrea |
| Helianthus occidentalis |
| Sphagneticola trilobata |
| PubChem | 162904649 |
| LOTUS | LTS0131260 |
| wikiData | Q105361674 |