Spinosan A
| Internal ID | 0b08d5e0-dd6e-4ce3-8cd1-9713a901e19f |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde |
| SMILES (Canonical) | COC1=C(C=CC(=C1)O)C2=C(C3=CC4=C(C=C3O2)OCO4)C=O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)O)C2=C(C3=CC4=C(C=C3O2)OCO4)C=O |
| InChI | InChI=1S/C17H12O6/c1-20-13-4-9(19)2-3-10(13)17-12(7-18)11-5-15-16(22-8-21-15)6-14(11)23-17/h2-7,19H,8H2,1H3 |
| InChI Key | DIWHINIZDYGBCS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 78.10 Ų |
| XlogP | 2.90 |
| CHEMBL517523 |
| 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde |
| InChI=1/C17H12O6/c1-20-13-4-9(19)2-3-10(13)17-12(7-18)11-5-15-16(22-8-21-15)6-14(11)23-17/h2-7,19H,8H2,1H |
| 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 | 98.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.13% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.42% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.64% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.56% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.99% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.73% | 89.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.95% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.95% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.14% | 96.77% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.92% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.54% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 85.48% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.04% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.28% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.16% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.92% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.91% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.88% | 98.35% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.64% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.23% | 95.53% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.14% | 90.71% |
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.
| Psorothamnus spinosus |
| PubChem | 11529700 |
| LOTUS | LTS0050352 |
| wikiData | Q104981727 |