[(1S,4S,6R,9S,10S,13R,14R)-14-(hydroxymethyl)-14-methoxy-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate
Internal ID | 071af9ca-b57c-48b6-9fe5-0209d15b1d36 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | [(1S,4S,6R,9S,10S,13R,14R)-14-(hydroxymethyl)-14-methoxy-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1CCC2(C3CCC4CC3(CCC2C1(C)C)CC4(CO)OC)C |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1CC[C@]2([C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]2C1(C)C)C[C@@]4(CO)OC)C |
InChI | InChI=1S/C26H42O4/c1-7-17(2)22(28)30-21-11-12-24(5)19(23(21,3)4)10-13-25-14-18(8-9-20(24)25)26(15-25,16-27)29-6/h7,18-21,27H,8-16H2,1-6H3/b17-7-/t18-,19-,20-,21-,24-,25+,26+/m1/s1 |
InChI Key | URSQOXNVGMLBOM-IMPXQLLHSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C26H42O4 |
Molecular Weight | 418.60 g/mol |
Exact Mass | 418.30830982 g/mol |
Topological Polar Surface Area (TPSA) | 55.80 Ų |
XlogP | 5.70 |
There are no found synonyms. |
![2D Structure of [(1S,4S,6R,9S,10S,13R,14R)-14-(hydroxymethyl)-14-methoxy-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate 2D Structure of [(1S,4S,6R,9S,10S,13R,14R)-14-(hydroxymethyl)-14-methoxy-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/0e726430-8595-11ee-829a-a3e73fb50174.jpg)
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 | 96.17% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.10% | 94.45% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.92% | 93.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.47% | 91.19% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.72% | 97.25% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.54% | 91.24% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.93% | 90.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.63% | 92.62% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.45% | 95.50% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.79% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.22% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.83% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.41% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 100.00% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.29% | 97.47% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.07% | 96.95% |
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.
Robinsonia evenia |
PubChem | 163038397 |
LOTUS | LTS0224573 |
wikiData | Q105278015 |