13-(Hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
| Internal ID | 8b502b6b-46bd-430b-b7b7-31770f2051ea |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one |
| SMILES (Canonical) | CC1=C2CC3C(C4CC4C3(C=C2OC1=O)C)CO |
| SMILES (Isomeric) | CC1=C2CC3C(C4CC4C3(C=C2OC1=O)C)CO |
| InChI | InChI=1S/C15H18O3/c1-7-8-3-12-10(6-16)9-4-11(9)15(12,2)5-13(8)18-14(7)17/h5,9-12,16H,3-4,6H2,1-2H3 |
| InChI Key | XZHCTKZHBRTLRU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.80 |
| 78749-47-0 |
| (1S,9S,10R,12S,13R)-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.0^{3,7.0^{10,12]trideca-3,7-dien-5-one |
![2D Structure of 13-(Hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-hydroxymethyl-49-dimethyl-6-oxatetracyclo74003701012trideca-37-dien-5-one.jpg "2D Structure of 13-(Hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-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 | 95.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.16% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.68% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.13% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.91% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.39% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.20% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.68% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.97% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.23% | 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.
| Chloranthus serratus |
| PubChem | 138376536 |
| LOTUS | LTS0215167 |
| wikiData | Q105344938 |