Methyl 3,11-dihydroxy-10-methoxy-2,4a,6,6a,9,14a-hexamethyl-4,8-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate
| Internal ID | 2580c839-ad26-4f39-91a7-48d31b86ed14 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | methyl 3,11-dihydroxy-10-methoxy-2,4a,6,6a,9,14a-hexamethyl-4,8-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate |
| SMILES (Canonical) | CC1=C2C3=CC(=O)C4=C(C(=C(C=C4C3(CCC2(C5CC(C(C(=O)C5(C1)C)O)(C)C(=O)OC)C)C)O)OC)C |
| SMILES (Isomeric) | CC1=C2C3=CC(=O)C4=C(C(=C(C=C4C3(CCC2(C5CC(C(C(=O)C5(C1)C)O)(C)C(=O)OC)C)C)O)OC)C |
| InChI | InChI=1S/C31H38O7/c1-15-13-30(5)21(14-31(6,27(36)38-8)26(35)25(30)34)29(4)10-9-28(3)17-11-20(33)24(37-7)16(2)22(17)19(32)12-18(28)23(15)29/h11-12,21,26,33,35H,9-10,13-14H2,1-8H3 |
| InChI Key | UEULPUBYHGYCFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H38O7 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.50 |
| 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 | 99.08% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.74% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.19% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.10% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.45% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.19% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.80% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.78% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.92% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.33% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.32% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.19% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.40% | 93.40% |
| CHEMBL240 | Q12809 | HERG | 86.14% | 89.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.48% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.80% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.10% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.89% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.31% | 96.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.08% | 97.28% |
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.
| Cheiloclinium cognatum |
| PubChem | 85130078 |
| LOTUS | LTS0119155 |
| wikiData | Q104198129 |