(1R,10R,11R,15R)-4,6-dimethoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6-trien-13-one
| Internal ID | a6e479bb-d2b5-4b42-903c-eb471815c2fb |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (1R,10R,11R,15R)-4,6-dimethoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6-trien-13-one |
| SMILES (Canonical) | CC12C(CC(=O)O1)C3C(O2)CC4=C(O3)C=C(C=C4OC)OC |
| SMILES (Isomeric) | C[C@]12[C@H](CC(=O)O1)[C@@H]3[C@H](O2)CC4=C(O3)C=C(C=C4OC)OC |
| InChI | InChI=1S/C16H18O6/c1-16-10(7-14(17)22-16)15-13(21-16)6-9-11(19-3)4-8(18-2)5-12(9)20-15/h4-5,10,13,15H,6-7H2,1-3H3/t10-,13-,15-,16-/m1/s1 |
| InChI Key | OUBYERXFSZSMFA-YEHMFOAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,10R,11R,15R)-4,6-dimethoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6-trien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/59cf12d0-84ce-11ee-b630-a33d7b9f7490.jpg "2D Structure of (1R,10R,11R,15R)-4,6-dimethoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6-trien-13-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.54% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.28% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.14% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.83% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.81% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.25% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.06% | 93.40% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.88% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.00% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.58% | 96.43% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.43% | 92.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.21% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.13% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.71% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.71% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.30% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.75% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
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.
To see more specific details click the taxa you are interested in.
| Actinidia chinensis |
| PubChem | 162940831 |
| LOTUS | LTS0099216 |
| wikiData | Q105199999 |