4-O-Demethylisokadsurenin D
| Internal ID | 22ad1089-2049-4586-9c5d-e698b3192367 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione |
| SMILES (Canonical) | CC1C(C2C(=O)C(=CC1(C2=O)CC=C)OC)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1C(C2C(=O)C(=CC1(C2=O)CC=C)OC)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C20H22O5/c1-5-8-20-10-15(25-4)18(22)17(19(20)23)16(11(20)2)12-6-7-13(21)14(9-12)24-3/h5-7,9-11,16-17,21H,1,8H2,2-4H3 |
| InChI Key | WDPDGHCWVZXPFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.30 |
| 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione |
| 89104-59-6 |
| 127179-70-8 |
| WDPDGHCWVZXPFP-UHFFFAOYSA-N |
| 5-Allyl-7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione # |
| Bicyclo[3.2.1]oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-(2-propenyl)-, [1R-(6-exo,7-endo)]- |
| 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 | 99.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.12% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.28% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.99% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.65% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.49% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.27% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.27% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.60% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.12% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.55% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.30% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.43% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.25% | 90.71% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.33% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.18% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.12% | 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.
To see more specific details click the taxa you are interested in.
| Ocotea porosa |
| PubChem | 631132 |
| LOTUS | LTS0223174 |
| wikiData | Q104200128 |