Isolariciresinol 9,9'-acetonide
| Internal ID | 1d9b6e37-d4dc-4644-9345-df75f9ef3c4a |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 6-(4-hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydrobenzo[h][2,4]benzodioxepin-8-ol |
| SMILES (Canonical) | CC1(OCC2CC3=CC(=C(C=C3C(C2CO1)C4=CC(=C(C=C4)O)OC)O)OC)C |
| SMILES (Isomeric) | CC1(OCC2CC3=CC(=C(C=C3C(C2CO1)C4=CC(=C(C=C4)O)OC)O)OC)C |
| InChI | InChI=1S/C23H28O6/c1-23(2)28-11-15-7-14-9-21(27-4)19(25)10-16(14)22(17(15)12-29-23)13-5-6-18(24)20(8-13)26-3/h5-6,8-10,15,17,22,24-25H,7,11-12H2,1-4H3 |
| InChI Key | SNCSNQKSYHFYSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O6 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 3.60 |
| 252333-71-4 |
| 9,9'-O-isopropyllidene-isolariciresil |
| 6-(4-hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydrobenzo[h][2,4]benzodioxepin-8-ol |
| 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 | 99.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.89% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.25% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.02% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.18% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.63% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.62% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.55% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.61% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.34% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.29% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.94% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.81% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.88% | 99.15% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.62% | 91.79% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.45% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.38% | 91.49% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.03% | 88.48% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.82% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.17% | 90.00% |
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.
| Taxus mairei |
| PubChem | 124222247 |
| LOTUS | LTS0183311 |
| wikiData | Q105256343 |