7,10,11-Trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
| Internal ID | 00bf4ceb-e254-48d4-9272-69cf84744802 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 7,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid |
| SMILES (Canonical) | CC1=C2C(=CC(=C1O)O)C3(CCC4(C5CC(CCC5(CCC4(C3=C(C2=O)O)C)C)(C)C(=O)O)C)C |
| SMILES (Isomeric) | CC1=C2C(=CC(=C1O)O)C3(CCC4(C5CC(CCC5(CCC4(C3=C(C2=O)O)C)C)(C)C(=O)O)C)C |
| InChI | InChI=1S/C29H38O6/c1-15-19-16(13-17(30)20(15)31)27(4)10-12-28(5)18-14-26(3,24(34)35)8-7-25(18,2)9-11-29(28,6)23(27)22(33)21(19)32/h13,18,30-31,33H,7-12,14H2,1-6H3,(H,34,35) |
| InChI Key | GXMSTEJLJKABOD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O6 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.40 |
| 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 | 98.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.55% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.82% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.72% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.04% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.71% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.14% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.39% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.88% | 99.15% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.39% | 94.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.30% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.56% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.84% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.78% | 90.00% |
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.
| Tripterygium wilfordii |
| PubChem | 66742981 |
| LOTUS | LTS0196006 |
| wikiData | Q105023204 |