4-(9-Methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl)benzene-1,3-diol
| Internal ID | 170720c3-6696-4575-ad2b-6db55f8813f1 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 4-(9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC1(C=CC2=C3C4C(CC3=C(C=C2O1)OC)C(C4C5=C(C=C(C=C5)O)O)(C)C)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C4C(CC3=C(C=C2O1)OC)C(C4C5=C(C=C(C=C5)O)O)(C)C)C |
| InChI | InChI=1S/C25H28O4/c1-24(2)9-8-15-20(29-24)12-19(28-5)16-11-17-22(21(15)16)23(25(17,3)4)14-7-6-13(26)10-18(14)27/h6-10,12,17,22-23,26-27H,11H2,1-5H3 |
| InChI Key | GYUGGYHLTJWEBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 4-(9-Methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4cebb720-8623-11ee-8fac-7fd29d0dfde9.jpg "2D Structure of 4-(9-Methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl)benzene-1,3-diol")
| 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 | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.39% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.30% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.03% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.49% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.08% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.26% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.96% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.12% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.01% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.49% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.48% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.96% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.87% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.63% | 97.14% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 82.48% | 94.67% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.35% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.13% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.02% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.85% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.84% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.82% | 93.40% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.67% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.28% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.12% | 91.19% |
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.
| Morus cathayana |
| PubChem | 162990972 |
| LOTUS | LTS0205668 |
| wikiData | Q105024183 |