Neosartoricin B
| Internal ID | 9cd20785-cf57-44db-ab1c-673c5b99b80a |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (2S,3R)-2,3,6,8,9-pentahydroxy-3-(2-hydroxy-4-oxopent-2-enyl)-10-(3-methylbut-2-enyl)-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC(=CCC1=C2C=C(C=C(C2=C(C3=C1CC(C(C3=O)O)(CC(=CC(=O)C)O)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C=C(C=C(C2=C(C3=C1C[C@]([C@@H](C3=O)O)(CC(=CC(=O)C)O)O)O)O)O)C |
| InChI | InChI=1S/C24H26O8/c1-11(2)4-5-15-16-7-13(26)8-18(28)19(16)21(29)20-17(15)10-24(32,23(31)22(20)30)9-14(27)6-12(3)25/h4,6-8,23,26-29,31-32H,5,9-10H2,1-3H3/t23-,24+/m1/s1 |
| InChI Key | SKHLOOKFZVSRKY-RPWUZVMVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H26O8 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 3.40 |
| 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 | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.85% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.26% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.19% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.30% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.12% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.38% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.65% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.90% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.12% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.33% | 95.17% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.76% | 80.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.45% | 95.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.03% | 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 | 132542799 |
| LOTUS | LTS0133257 |
| wikiData | Q105254825 |