(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
| Internal ID | ece8e2a3-6595-4dac-87fc-fdb50df47b2a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-ol |
| SMILES (Canonical) | CCC(C1=CC2=C(C(=C1)OC)OCO2)O |
| SMILES (Isomeric) | CC[C@@H](C1=CC2=C(C(=C1)OC)OCO2)O |
| InChI | InChI=1S/C11H14O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5,8,12H,3,6H2,1-2H3/t8-/m0/s1 |
| InChI Key | QXAWUMIJXBTEMR-QMMMGPOBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 1.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.74% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.76% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.42% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.48% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.07% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.14% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.92% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.29% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.16% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.13% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.86% | 89.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.42% | 94.80% |
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.
| Ferula communis |
| Stellaria dichotoma |
| PubChem | 162861931 |
| LOTUS | LTS0225994 |
| wikiData | Q105229502 |