Scortechinone X
| Internal ID | f8b132cd-1a02-45f4-be1b-ff6f2b38aeb9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (7S)-7-[(E)-3-carboxybut-2-enyl]-14-hydroxy-9-methoxy-5,5,16,16,17-pentamethyl-20-(3-methylbut-2-enyl)-12-oxo-2,6,18-trioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),13,15(19)-pentaene-7-carboxylic acid |
| SMILES (Canonical) | CC1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C5=C(C(C4)OC)C(OC5(C)C)(CC=C(C)C(=O)O)C(=O)O)CC=C(C)C)(C)C |
| SMILES (Isomeric) | CC1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C5=C(C(C4)OC)[C@@](OC5(C)C)(C/C=C(\C)/C(=O)O)C(=O)O)CC=C(C)C)(C)C |
| InChI | InChI=1S/C34H40O10/c1-15(2)10-11-18-27-21(26(36)24-28(18)42-17(4)32(24,5)6)25(35)19-14-20(41-9)22-23(29(19)43-27)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,17,20,36H,11,13-14H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17?,20?,34-/m0/s1 |
| InChI Key | CDEHIYLRKGRKGU-MVXUOOCWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H40O10 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 4.70 |
| CHEMBL454955 |
| 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 | 99.82% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.65% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.48% | 89.34% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.29% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.43% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.71% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.54% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.01% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.91% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 88.28% | 96.01% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.78% | 94.42% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.63% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.70% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.05% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.01% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.26% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.18% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.13% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.93% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.63% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.89% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.30% | 99.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.53% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.33% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.21% | 95.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.03% | 93.04% |
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.
| Acer platanoides |
| Garcinia scortechinii |
| PubChem | 44559178 |
| LOTUS | LTS0258082 |
| wikiData | Q105143288 |