Sampsone B
| Internal ID | 1c5df56a-c3bc-4eeb-ac9e-4b635b8a86ab |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (4aR,10aR)-3,4a,7,10a-tetramethoxy-4H-dibenzo-p-dioxin-1-one |
| SMILES (Canonical) | COC1=CC(=O)C2(C(C1)(OC3=C(O2)C=CC(=C3)OC)OC)OC |
| SMILES (Isomeric) | COC1=CC(=O)[C@@]2([C@@](C1)(OC3=C(O2)C=CC(=C3)OC)OC)OC |
| InChI | InChI=1S/C16H18O7/c1-18-10-5-6-12-13(7-10)22-15(20-3)9-11(19-2)8-14(17)16(15,21-4)23-12/h5-8H,9H2,1-4H3/t15-,16-/m1/s1 |
| InChI Key | VVGCXZDHBJNPRE-HZPDHXFCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O7 |
| Molecular Weight | 322.31 g/mol |
| Exact Mass | 322.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 1.30 |
| AKOS040762890 |
| 1309125-17-4 |
| 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 | 98.01% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.26% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.83% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.06% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.09% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.35% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.50% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.30% | 93.31% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.88% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.19% | 93.99% |
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.
| Hypericum sampsonii |
| PubChem | 162943623 |
| LOTUS | LTS0247725 |
| wikiData | Q105297650 |