10-hydroxy-18-N-2-naphthyl-N-phenylaminobetaenone
| Internal ID | 21617bb1-e0ed-4b36-94a1-626104873c14 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (2S,3R,4R,4aR,5R,7R,8aR)-3-butan-2-yl-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(E)-3-(N-naphthalen-2-ylanilino)prop-2-enoyl]-4a,5,6,8-tetrahydro-3H-naphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H45NO5/c1-7-24(2)31-35(5,32-25(3)22-34(4,41)23-37(32,43)33(40)36(31,6)42)30(39)19-20-38(28-15-9-8-10-16-28)29-18-17-26-13-11-12-14-27(26)21-29/h8-21,24-25,31-32,41-43H,7,22-23H2,1-6H3/b20-19+/t24?,25-,31-,32-,34-,35-,36+,37-/m1/s1 |
| InChI Key | PBODNUVAXAPXJH-YTOGWHTISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H45NO5 |
| Molecular Weight | 583.80 g/mol |
| Exact Mass | 583.32977354 g/mol |
| Topological Polar Surface Area (TPSA) | 98.10 Ų |
| XlogP | 6.60 |
| BDBM50269145 |
| 10-hydroxy-18-N-2-naphthyl-N-phenylaminobetaenone |
| 10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae- none |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.05% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.30% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.53% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.82% | 89.34% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.58% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.98% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.11% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.43% | 93.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.92% | 85.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.84% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.11% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.25% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.50% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.39% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.03% | 97.09% |
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 | 10674806 |
| LOTUS | LTS0111904 |
| wikiData | Q77371881 |