3,28-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26(30)-hexaene-27,29-dione
| Internal ID | 95f8fb89-6d37-4baf-9124-4a5381148617 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 3,28-dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26(30)-hexaene-27,29-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H40O5/c1-31(2)18-17-23-25(36-31)20-21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-19-24(32)27(26(21)29(23)34)30(35)28(22)33/h17-20,34-35H,3-16H2,1-2H3 |
| InChI Key | RKYVIIQJUFYWPI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H40O5 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of 3,28-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26(30)-hexaene-27,29-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b09fdb10-8655-11ee-b002-eb4eee6f549e.jpg "2D Structure of 3,28-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26(30)-hexaene-27,29-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 | 98.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.00% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.95% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.75% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.44% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.36% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.80% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.31% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.79% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.68% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.79% | 86.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.70% | 95.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.50% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.30% | 96.38% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.27% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.76% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.26% | 80.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.41% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.34% | 91.07% |
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.
| Kermadecia rotundifolia |
| PubChem | 154710350 |
| LOTUS | LTS0216006 |
| wikiData | Q105239661 |