(1R,9R,10R,12S,13R)-13-hydroxy-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
| Internal ID | ff70d7c6-baae-4cb4-b02f-429155a08e2b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,9R,10R,12S,13R)-13-hydroxy-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one |
| SMILES (Canonical) | CC1=C2CC3C(C=C2OC1=O)(C4CC4C3(CO)O)C |
| SMILES (Isomeric) | CC1=C2C[C@@H]3[C@@](C=C2OC1=O)([C@@H]4C[C@@H]4[C@@]3(CO)O)C |
| InChI | InChI=1S/C15H18O4/c1-7-8-3-12-14(2,5-11(8)19-13(7)17)9-4-10(9)15(12,18)6-16/h5,9-10,12,16,18H,3-4,6H2,1-2H3/t9-,10+,12-,14+,15-/m1/s1 |
| InChI Key | KZYJSWYAVVKDPR-UCTJBKIYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1R,9R,10R,12S,13R)-13-hydroxy-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/df605c80-8585-11ee-be62-9958fae48024.jpg "2D Structure of (1R,9R,10R,12S,13R)-13-hydroxy-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 | 95.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.07% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.59% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.33% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.80% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.25% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.73% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.92% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.26% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.78% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.95% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.92% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.62% | 89.00% |
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 | 102441214 |
| LOTUS | LTS0153862 |
| wikiData | Q105148507 |