2,14-Dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),7-diene-5,19-dione
| Internal ID | 4c96065e-dc35-4011-b0b4-becbaddc62a8 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 2,14-dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),7-diene-5,19-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O10/c1-25(2)22-12-21(30)27(14-37-22)28(25,32)8-7-26(3)29(27,33)13-16-18(39-26)11-17(38-24(16)31)15-9-19(34-4)23(36-6)20(10-15)35-5/h9-11,22,32-33H,7-8,12-14H2,1-6H3 |
| InChI Key | ATLGSZPVKAPATP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O10 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2,14-Dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),7-diene-5,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cdfce800-87a4-11ee-a4dd-b18c370d166b.jpg "2D Structure of 2,14-Dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),7-diene-5,19-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.18% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.46% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.29% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.19% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.05% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.15% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.27% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.66% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.41% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.86% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.15% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.85% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.30% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.27% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.20% | 89.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.56% | 93.99% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.47% | 95.71% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.95% | 95.12% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.12% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.71% | 92.94% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.57% | 96.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.28% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162959725 |
| LOTUS | LTS0134969 |
| wikiData | Q103816411 |