(1S,4S,5R,8S,9S,12R)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid
| Internal ID | 1a23c067-7f0f-4efe-83a0-55779dca9d61 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1S,4S,5R,8S,9S,12R)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC34C2C=CC(CC3)(OC4)C)C(=O)O |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@]34[C@H]2C=C[C@@](CC3)(OC4)C)C(=O)O |
| InChI | InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18+,19+,20+/m1/s1 |
| InChI Key | QUIYFMAFJIAUMA-VRYCVARASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5R,8S,9S,12R)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/660570c0-86fd-11ee-a7cc-538a239b7197.jpg "2D Structure of (1S,4S,5R,8S,9S,12R)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.12% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.48% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.44% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.80% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.13% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.88% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.49% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.57% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.19% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.82% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.48% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.39% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.30% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.89% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.33% | 97.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.40% | 85.31% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.96% | 94.33% |
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.
| Azorella prolifera |
| Azorella trisecta |
| PubChem | 101260442 |
| LOTUS | LTS0010396 |
| wikiData | Q105228217 |