2-amino-6-hydroxy-5-[(E,4R)-4-[(2S,3R,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpent-2-enoyl]-7-methylnaphthalene-1,4-dione
| Internal ID | d55713f9-9b5a-4e4f-aeea-7e930733f4a9 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-amino-6-hydroxy-5-[(E,4R)-4-[(2S,3R,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpent-2-enoyl]-7-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H27NO7/c1-9(6-11(3)23-12(4)21(29)13(5)24(31)32-23)19(27)18-17-14(7-10(2)20(18)28)22(30)15(25)8-16(17)26/h6-8,11-13,21,23,28-29H,25H2,1-5H3/b9-6+/t11-,12-,13+,21-,23+/m1/s1 |
| InChI Key | WLUGKZAYPJIJDO-FSMNHOGLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H27NO7 |
| Molecular Weight | 441.50 g/mol |
| Exact Mass | 441.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-amino-6-hydroxy-5-[(E,4R)-4-[(2S,3R,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpent-2-enoyl]-7-methylnaphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/277b3130-8798-11ee-802f-039cbbd11dd3.jpg "2D Structure of 2-amino-6-hydroxy-5-[(E,4R)-4-[(2S,3R,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpent-2-enoyl]-7-methylnaphthalene-1,4-dione")
| 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 | 98.11% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.09% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.97% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.20% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.04% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.70% | 91.49% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.10% | 83.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.31% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.66% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.62% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.03% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.53% | 85.14% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.09% | 94.42% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.82% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.25% | 96.37% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.00% | 89.34% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.93% | 96.38% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.03% | 93.18% |
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 | 163194679 |
| LOTUS | LTS0186478 |
| wikiData | Q105308225 |