28,29-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2(11),4(9),5,26,29-hexaene-3,10-dione
| Internal ID | 00cca69c-a339-4de5-99a6-ba2e34fa055a |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 28,29-dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2(11),4(9),5,26,29-hexaene-3,10-dione |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C(=O)C3=C(C2=O)C4=C(C=C(CCCCCCCCCCCCCC3)C=C4O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C(=O)C3=C(C2=O)C4=C(C=C(CCCCCCCCCCCCCC3)C=C4O)O)C |
| InChI | InChI=1S/C31H40O5/c1-31(2)18-17-23-28(34)26-22(29(35)30(23)36-31)16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-19-24(32)27(26)25(33)20-21/h17-20,32-33H,3-16H2,1-2H3 |
| InChI Key | LNALKEIQYKOVHK-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 28,29-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2(11),4(9),5,26,29-hexaene-3,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fe084dc0-858a-11ee-a885-7989e40da30e.jpg "2D Structure of 28,29-Dihydroxy-7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2(11),4(9),5,26,29-hexaene-3,10-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 | 97.73% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.03% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.17% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.67% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.24% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.23% | 93.40% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.75% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.51% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.46% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.41% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.71% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.21% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.67% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.65% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.80% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.33% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.99% | 96.00% |
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.
| Kermadecia elliptica |
| PubChem | 24761007 |
| LOTUS | LTS0098616 |
| wikiData | Q105154237 |