9-Hydroxy-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione
| Internal ID | 21a65334-7544-4b08-b90b-0c5431d1b9f7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 9-hydroxy-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5(C4C3=O)C=C(C(=CC5=O)OC)OC)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5(C4C3=O)C=C(C(=CC5=O)OC)OC)O)C |
| InChI | InChI=1S/C23H22O8/c1-22(2)6-5-11-13(31-22)7-12(24)18-20(26)19-16(30-21(11)18)10-29-23(19)9-15(28-4)14(27-3)8-17(23)25/h5-9,16,19,24H,10H2,1-4H3 |
| InChI Key | ZBTGBOZTIJWBIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O8 |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8bca6330-86bb-11ee-a14b-83ff6a4f2a55.jpg "2D Structure of 9-Hydroxy-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione")
| 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 | 99.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.61% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.62% | 91.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.58% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.63% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.47% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.77% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.42% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.56% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.21% | 93.40% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.86% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.98% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.32% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.15% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.65% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.61% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.37% | 93.99% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.94% | 80.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.27% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.11% | 92.68% |
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.
| Amorpha fruticosa |
| PubChem | 74392205 |
| LOTUS | LTS0194887 |
| wikiData | Q105370844 |