(1R,7S,9R,10S,12S,14R)-7-hydroxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one
| Internal ID | 4b38057e-34f0-43dd-a342-58c33e0fa74c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | (1R,7S,9R,10S,12S,14R)-7-hydroxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one |
| SMILES (Canonical) | CC1CC2(C(=C(C(=O)O2)C)CC34C15C(O5)CC3(O4)C)O |
| SMILES (Isomeric) | C[C@@H]1C[C@]2(C(=C(C(=O)O2)C)C[C@]34[C@@]15[C@@H](O5)C[C@]3(O4)C)O |
| InChI | InChI=1S/C15H18O5/c1-7-4-13(17)9(8(2)11(16)19-13)5-14-12(3,20-14)6-10-15(7,14)18-10/h7,10,17H,4-6H2,1-3H3/t7-,10+,12-,13+,14-,15+/m1/s1 |
| InChI Key | NLHOSEVIARHUAU-UVHJLAGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1R,7S,9R,10S,12S,14R)-7-hydroxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/7d251de0-8647-11ee-b8d8-b1de660caf57.jpg "2D Structure of (1R,7S,9R,10S,12S,14R)-7-hydroxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one")
| 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 | 96.07% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.85% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.47% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.35% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.36% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.48% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.39% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.80% | 96.09% |
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.
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| There are no matching plants. |
| PubChem | 10731274 |
| LOTUS | LTS0076182 |
| wikiData | Q105181342 |