4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol
| Internal ID | dfaee695-0830-434c-8064-e5b8b49e9ee0 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol |
| SMILES (Canonical) | CC1C(COC1O)C(C2=CC3=C(C(=C2)OC)OCO3)C4=CC5=C(C(=C4)OC)OCO5 |
| SMILES (Isomeric) | CC1C(COC1O)C(C2=CC3=C(C(=C2)OC)OCO3)C4=CC5=C(C(=C4)OC)OCO5 |
| InChI | InChI=1S/C22H24O8/c1-11-14(8-26-22(11)23)19(12-4-15(24-2)20-17(6-12)27-9-29-20)13-5-16(25-3)21-18(7-13)28-10-30-21/h4-7,11,14,19,22-23H,8-10H2,1-3H3 |
| InChI Key | SNBUNJUZIKRKCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 84.80 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4-bis7-methoxy-13-benzodioxol-5-ylmethyl-3-methyloxolan-2-ol.jpg "2D Structure of 4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-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 | 97.04% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.06% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.47% | 89.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.20% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.38% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.86% | 89.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.45% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.85% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.41% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.15% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.64% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.22% | 82.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.10% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.54% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.95% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.91% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.73% | 96.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.38% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.28% | 94.45% |
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.
| Peperomia blanda |
| PubChem | 73067658 |
| LOTUS | LTS0086823 |
| wikiData | Q105256331 |