2-Amino-5-[5,7-dihydroxy-8-(4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl)-2,4,6-trimethylnon-2-enoyl]-6-hydroxy-7-methylnaphthalene-1,4-dione
| Internal ID | b4a3181f-0b51-43e0-8187-cb79e784cb88 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 2-amino-5-[5,7-dihydroxy-8-(4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl)-2,4,6-trimethylnon-2-enoyl]-6-hydroxy-7-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H39NO9/c1-11(23(33)14(4)26(36)15(5)29-16(6)27(37)17(7)30(39)40-29)8-12(2)24(34)22-21-18(9-13(3)25(22)35)28(38)19(31)10-20(21)32/h8-11,14-17,23,26-27,29,33,35-37H,31H2,1-7H3 |
| InChI Key | ZGBPZXBPQOEFMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H39NO9 |
| Molecular Weight | 557.60 g/mol |
| Exact Mass | 557.26248182 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 2-Amino-5-[5,7-dihydroxy-8-(4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl)-2,4,6-trimethylnon-2-enoyl]-6-hydroxy-7-methylnaphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/00d50e10-8648-11ee-8023-d7858c64a6f5.jpg "2D Structure of 2-Amino-5-[5,7-dihydroxy-8-(4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl)-2,4,6-trimethylnon-2-enoyl]-6-hydroxy-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 | 98.74% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.00% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.08% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.63% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.43% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 91.24% | 83.10% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.02% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.30% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.77% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.60% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.59% | 91.07% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.39% | 95.58% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.69% | 99.15% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.39% | 94.42% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.19% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.64% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.42% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.39% | 86.33% |
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 | 162947007 |
| LOTUS | LTS0038687 |
| wikiData | Q105375037 |