methyl (1R,6S,7E)-6-hydroxy-8,15,15-trimethyl-4-methylidene-10-oxobicyclo[9.3.1]pentadeca-7,11-diene-12-carboxylate
| Internal ID | 408e3f86-ca73-4454-8df7-20a17a9a56f2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (1R,6S,7E)-6-hydroxy-8,15,15-trimethyl-4-methylidene-10-oxobicyclo[9.3.1]pentadeca-7,11-diene-12-carboxylate |
| SMILES (Canonical) | CC1=CC(CC(=C)CCC2CCC(=C(C2(C)C)C(=O)C1)C(=O)OC)O |
| SMILES (Isomeric) | C/C/1=C\[C@H](CC(=C)CC[C@@H]2CCC(=C(C2(C)C)C(=O)C1)C(=O)OC)O |
| InChI | InChI=1S/C21H30O4/c1-13-6-7-15-8-9-17(20(24)25-5)19(21(15,3)4)18(23)12-14(2)11-16(22)10-13/h11,15-16,22H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+/m1/s1 |
| InChI Key | MEZXULZUADULAO-MEDRYPNSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of methyl (1R,6S,7E)-6-hydroxy-8,15,15-trimethyl-4-methylidene-10-oxobicyclo[9.3.1]pentadeca-7,11-diene-12-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/63cf55e0-8584-11ee-b557-119907a67569.jpg "2D Structure of methyl (1R,6S,7E)-6-hydroxy-8,15,15-trimethyl-4-methylidene-10-oxobicyclo[9.3.1]pentadeca-7,11-diene-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.08% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.55% | 83.82% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.53% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.68% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.90% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.92% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.15% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.97% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.94% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.77% | 96.43% |
| CHEMBL5028 | O14672 | ADAM10 | 84.60% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.36% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.35% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.94% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.46% | 91.24% |
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.
| There are no matching plants. |
| PubChem | 162902439 |
| LOTUS | LTS0111436 |
| wikiData | Q105162502 |