11-O-methyl-12-oxoxylodonin B
| Internal ID | e5426d79-2d60-48fe-ba16-6bf57f4f0078 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [(1R,5S,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O5/c1-24(2)13-8-14-25(3)20-17(22(27)30-23(20)28-4)15-18(21(24)25)29-19(26)12-11-16-9-6-5-7-10-16/h5-7,9-12,15,18,20-21,23H,8,13-14H2,1-4H3/b12-11+/t18-,20+,21-,23+,25+/m0/s1 |
| InChI Key | IJBOCWFTWIQMQW-NLFYUQFTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H30O5 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 5.60 |
| ((1R,5S,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo(e)(2)benzofuran-5-yl) (E)-3-phenylprop-2-enoate |
| (1R,5S,5AS,9as,9BR)-1-methoxy-6,6,9a-trimethyl-3-oxo-1H,3H,5H,5ah,6H,7H,8H,9H,9ah,9BH-naphtho(1,2-c)furan-5-yl (2E)-3-phenylprop-2-enoic acid |
| (1R,5S,5AS,9as,9BR)-1-methoxy-6,6,9a-trimethyl-3-oxo-1H,3H,5H,5ah,6H,7H,8H,9H,9ah,9BH-naphtho[1,2-c]furan-5-yl (2E)-3-phenylprop-2-enoic acid |
| [(1R,5S,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (E)-3-phenylprop-2-enoate |
| RefChem:77970 |
| CHEMBL4436141 |
| CHEBI:225596 |
| [(1R,5S,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-5-yl] (E)-3-phenylprop-2-enoate |
| 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 | 98.15% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.60% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.06% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.33% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.26% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.84% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.40% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 87.15% | 97.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.21% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.12% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.97% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.34% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.91% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.54% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.30% | 94.62% |
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 | 145721265 |
| LOTUS | LTS0185595 |
| wikiData | Q105113876 |