3-Methoxy-7,7-dimethyl-10-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.7.1.02,11.04,9.014,19]henicosa-2,4(9),5,10,14,16,18-heptaene-1,15-diol
| Internal ID | 0e244949-e22d-40b4-a47c-396a0873391d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 3-methoxy-7,7-dimethyl-10-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.7.1.02,11.04,9.014,19]henicosa-2,4(9),5,10,14,16,18-heptaene-1,15-diol |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C4(CC(O2)C5=C(C=CC=C5O4)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C4(CC(O2)C5=C(C=CC=C5O4)O)O)C |
| InChI | InChI=1S/C26H28O6/c1-14(2)9-10-15-22-16(11-12-25(3,4)32-22)23(29-5)21-24(15)30-19-13-26(21,28)31-18-8-6-7-17(27)20(18)19/h6-9,11-12,19,27-28H,10,13H2,1-5H3 |
| InChI Key | OHXCIEXSFNBDTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O6 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 3-Methoxy-7,7-dimethyl-10-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.7.1.02,11.04,9.014,19]henicosa-2,4(9),5,10,14,16,18-heptaene-1,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/14c8a930-84e6-11ee-9f74-1d1ec4c64927.jpg "2D Structure of 3-Methoxy-7,7-dimethyl-10-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.7.1.02,11.04,9.014,19]henicosa-2,4(9),5,10,14,16,18-heptaene-1,15-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 | 99.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.19% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.77% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.09% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.51% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.29% | 92.88% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.18% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.71% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.64% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.33% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.28% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.25% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.71% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.67% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.58% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.34% | 99.23% |
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 | 74977197 |
| LOTUS | LTS0093863 |
| wikiData | Q105192356 |