Pochonin B
| Internal ID | ba6e42b2-459c-4176-977a-f98f467b18db |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | (4S,6R,8R,10S,11E)-16-chloro-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H19ClO7/c1-8-4-14-15(26-14)6-10(21)3-2-9(20)5-11-16(18(24)25-8)12(22)7-13(23)17(11)19/h2-3,7-8,10,14-15,21-23H,4-6H2,1H3/b3-2+/t8-,10+,14+,15+/m0/s1 |
| InChI Key | BDHDUOMSMIFYEX-BHSJHAFESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H19ClO7 |
| Molecular Weight | 382.80 g/mol |
| Exact Mass | 382.0819306 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 2.30 |
| CHEMBL468030 |
| chloro-trihydroxy-methyl-[?]dione |
| 2H-Oxireno[e][2]benzoxacyclotetradecin-6,12(3H,7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-3,9,11-trihydroxy-14-methyl-, (1aR,3S,14S,15aR)- |
| 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 | 99.32% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.28% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.19% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.91% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.36% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.01% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.82% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.20% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.42% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.46% | 95.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.46% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.63% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.19% | 96.77% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.92% | 91.00% |
| CHEMBL3553 | P29597 | Tyrosine-protein kinase TYK2 | 80.92% | 97.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.72% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.64% | 99.15% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.19% | 90.24% |
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 | 6478911 |
| LOTUS | LTS0134004 |
| wikiData | Q105100548 |