Truncatone B
| Internal ID | 21d94a0f-b641-4015-9f92-0959502eacf5 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (11S)-7,11,15-trihydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione |
| SMILES (Canonical) | C1CC(=O)C2=C(C=CC3=C2C1=C4C3(CC(=O)C5=C4C=CC=C5O)O)O |
| SMILES (Isomeric) | C1CC(=O)C2=C(C=CC3=C2C1=C4[C@@]3(CC(=O)C5=C4C=CC=C5O)O)O |
| InChI | InChI=1S/C20H14O5/c21-12-3-1-2-9-17(12)15(24)8-20(25)11-5-7-14(23)18-13(22)6-4-10(16(11)18)19(9)20/h1-3,5,7,21,23,25H,4,6,8H2/t20-/m0/s1 |
| InChI Key | SKSDIVKAMYSIIU-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H14O5 |
| Molecular Weight | 334.30 g/mol |
| Exact Mass | 334.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 1.80 |
| 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 | 98.22% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.99% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.49% | 99.15% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.63% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.98% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.52% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.56% | 93.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.08% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.63% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.29% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.95% | 96.12% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 132546450 |
| LOTUS | LTS0071231 |
| wikiData | Q75063457 |