12-hydroxylcytochalasin Q
| Internal ID | 9f39b41c-61dd-40de-94d0-31c37ef1c365 |
| Taxonomy | Alkaloids and derivatives > Cytochalasans |
| IUPAC Name | [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15S,16R,17S)-17-benzyl-5-hydroxy-14-(hydroxymethyl)-5,7,15-trimethyl-6,19-dioxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H37NO7/c1-17-9-8-12-21-26-29(16-32,38-26)18(2)24-22(15-20-10-6-5-7-11-20)31-27(35)30(21,24)23(37-19(3)33)13-14-28(4,36)25(17)34/h5-8,10-14,17-18,21-24,26,32,36H,9,15-16H2,1-4H3,(H,31,35)/b12-8+,14-13+/t17-,18-,21-,22-,23+,24-,26-,28+,29+,30+/m0/s1 |
| InChI Key | WSGXJGRFLOKRGJ-QRKDPZLESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H37NO7 |
| Molecular Weight | 523.60 g/mol |
| Exact Mass | 523.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 2.20 |
| 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 | 98.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.04% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.57% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.43% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.30% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.18% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.74% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.58% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.86% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.57% | 97.64% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.48% | 94.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.13% | 91.19% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.77% | 97.33% |
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 | 146683452 |
| LOTUS | LTS0127475 |
| wikiData | Q105311853 |