(2R,4aS,6aS,6aS,14aS,14bR)-7,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
| Internal ID | 12b88d33-51ad-47f2-8d3a-c65674753fd0 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (2R,4aS,6aS,6aS,14aS,14bR)-7,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione |
| SMILES (Canonical) | CC1CC2C(CCC3(C2(CCC4(C3=C(C(=O)C5=C(C(=C(C=C54)O)O)C)O)C)C)C)(CC1=O)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=C(C(=O)C5=C(C(=C(C=C54)O)O)C)O)C)C)C)(CC1=O)C |
| InChI | InChI=1S/C28H36O5/c1-14-11-19-25(3,13-18(14)30)7-9-28(6)24-23(33)22(32)20-15(2)21(31)17(29)12-16(20)26(24,4)8-10-27(19,28)5/h12,14,19,29,31,33H,7-11,13H2,1-6H3/t14-,19-,25+,26+,27+,28-/m1/s1 |
| InChI Key | AAZRRHBFRPIGGY-DKJGGAHNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H36O5 |
| Molecular Weight | 452.60 g/mol |
| Exact Mass | 452.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
| 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 | 99.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.35% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.39% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.69% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.83% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.62% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.30% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.14% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.61% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.49% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.73% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.51% | 99.15% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.77% | 82.69% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.66% | 93.18% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.46% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.21% | 92.68% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.19% | 96.38% |
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 | 162942725 |
| LOTUS | LTS0072784 |
| wikiData | Q104908480 |