14-(4-Methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione
| Internal ID | e9cd6f17-08e3-40dd-82e5-7808535e6d6a |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1=O)C)CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1=O)C)CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)C |
| InChI | InChI=1S/C27H32O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,15,21-22H,10-14H2,1-5H3 |
| InChI Key | YKIBSZXLXSOWFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O5 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 14-(4-Methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1d4127a0-8262-11ee-8b3e-ef4a0cb8ca2d.jpg "2D Structure of 14-(4-Methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione")
| 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 | 99.08% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 97.70% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.54% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.72% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.82% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.78% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.51% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.97% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.67% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 90.60% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.52% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.17% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.90% | 92.62% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.94% | 97.53% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.91% | 80.96% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.32% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.49% | 97.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.31% | 95.53% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.47% | 99.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.17% | 99.23% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.03% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 80.69% | 94.67% |
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.
| There are no matching plants. |
| PubChem | 163026320 |
| LOTUS | LTS0193674 |
| wikiData | Q105349700 |