Neonectriolide E
| Internal ID | 116ef23a-d84d-4a1b-bf1e-8f26a3aa3248 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,2R,4R,6S)-14-hydroxy-10-methoxy-4,12-dimethyl-6-[[(2R)-5-oxooxolan-2-yl]methyl]-5,7,17-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-8,10,12,14,18-pentaen-16-one |
| SMILES (Canonical) | CC1CC2C3C4=C5C(=C(C=C4OC2(O1)CC6CCC(=O)O6)OC)C(=CC(=C5C(=O)O3)O)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]2[C@H]3C4=C5C(=C(C=C4O[C@@]2(O1)C[C@H]6CCC(=O)O6)OC)C(=CC(=C5C(=O)O3)O)C |
| InChI | InChI=1S/C24H24O8/c1-10-6-14(25)19-21-18(10)15(28-3)8-16-20(21)22(30-23(19)27)13-7-11(2)31-24(13,32-16)9-12-4-5-17(26)29-12/h6,8,11-13,22,25H,4-5,7,9H2,1-3H3/t11-,12-,13-,22+,24+/m1/s1 |
| InChI Key | ZALCZOUYJXZXGH-SDGSCWNDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H24O8 |
| Molecular Weight | 440.40 g/mol |
| Exact Mass | 440.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.90 |
| CHEMBL3590129 |
| 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 | 99.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.68% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.05% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.25% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.39% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.67% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.47% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.82% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.75% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.49% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.20% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.17% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.79% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.93% | 96.21% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.68% | 82.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.15% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.56% | 96.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.41% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.67% | 94.45% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.22% | 91.96% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.92% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 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 | 122181370 |
| LOTUS | LTS0064580 |
| wikiData | Q105369926 |