Chloropupukeanolide E
| Internal ID | 458f3887-f31a-4ef1-b119-acef9a9978ce |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | methyl (1'S,2R,3'S,6'R,7'S)-4'-[(1aR,3aR,6S,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-1a,3a,6,7-tetrahydro-1H-cyclopropa[c][1]benzofuran-4-yl]-7'-chloro-3',5-dihydroxy-6',7-dimethyl-4,8'-dioxospiro[1,3-benzodioxine-2,2'-tricyclo[4.3.1.03,7]dec-4-ene]-1'-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H33ClO11/c1-13-6-16(34)21-18(7-13)42-32(44-24(21)38)28(25(39)41-5)11-20(36)30(33)27(4,12-28)9-15(31(30,32)40)14-8-17(35)22(37)29-10-19(29)26(2,3)43-23(14)29/h6-9,17,19,22-23,34-35,37,40H,10-12H2,1-5H3/t17-,19-,22-,23+,27-,28-,29-,30-,31+,32+/m0/s1 |
| InChI Key | MSCIFXRANQPNQM-AOTXDMKXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H33ClO11 |
| Molecular Weight | 629.00 g/mol |
| Exact Mass | 628.1711396 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.90 |
| 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 | 99.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.89% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.75% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.22% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.24% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.60% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.93% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.67% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.26% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.68% | 85.30% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.71% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.71% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.41% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.39% | 93.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.36% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.45% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.76% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.02% | 92.62% |
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.
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| There are no matching plants. |
| PubChem | 54754213 |
| LOTUS | LTS0082529 |
| wikiData | Q77511632 |