Acremolactone B
| Internal ID | 56f02383-5153-4432-9d70-4ad318c2d432 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines |
| IUPAC Name | (6S,6aS,9S,9aS)-4,6-dihydroxy-9-[(E,1S)-1-hydroxy-2-methylhex-2-enyl]-6a-methyl-3-(2-methylphenyl)-5,6,9,9a-tetrahydrofuro[2,3-h]isoquinolin-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31NO5/c1-5-6-9-15(3)23(29)20-21-18-13-27-22(16-11-8-7-10-14(16)2)24(30)17(18)12-19(28)26(21,4)32-25(20)31/h7-11,13,19-21,23,28-30H,5-6,12H2,1-4H3/b15-9+/t19-,20-,21+,23+,26+/m0/s1 |
| InChI Key | PGFXNTBJNUFXCN-YRANEMMESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H31NO5 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 99.90 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 | 99.49% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.67% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.55% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.38% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.97% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.97% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.63% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.21% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.62% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.05% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.84% | 93.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.68% | 92.97% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.87% | 93.40% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.75% | 97.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.27% | 90.08% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.95% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.40% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.37% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.35% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.28% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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 | 101371652 |
| LOTUS | LTS0077181 |
| wikiData | Q75064488 |