Palmarumycin CP4
| Internal ID | 0629f178-4a7f-498d-9b09-e161a8a33269 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (4R,4aS)-4,8-dihydroxyspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one |
| SMILES (Canonical) | C1CC(=O)C2=C(C=CC3(C2C1O)OC4=CC=CC5=C4C(=CC=C5)O3)O |
| SMILES (Isomeric) | C1CC(=O)C2=C(C=CC3([C@@H]2[C@@H]1O)OC4=CC=CC5=C4C(=CC=C5)O3)O |
| InChI | InChI=1S/C20H16O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,14,19,22-23H,7-8H2/t14-,19-/m1/s1 |
| InChI Key | KHWCPGYSJZWUAY-AUUYWEPGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H16O5 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.00 |
| (4R,4aS)-4,8-dihydroxyspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one |
| (4R,4aS)-4,8-dihydroxyspiro(2,3,4,4a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo(7.3.1.05,13)trideca-1(12),5,7,9(13),10-pentaene)-1-one |
| RefChem:169690 |
| Palmarumycin CP4 |
| CHEBI:221263 |
| 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 | 99.29% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.14% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.41% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.00% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.77% | 97.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.33% | 97.33% |
| CHEMBL240 | Q12809 | HERG | 83.69% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.56% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.94% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.82% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.06% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.06% | 92.94% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.98% | 91.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.12% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.01% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 10042618 |
| LOTUS | LTS0182533 |
| wikiData | Q77505408 |