11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6,6a,8,9,10-hexahydronaphtho[1,2-h]isochromen-4-one
| Internal ID | 785e4b6b-449b-4c64-82fa-4e535a27597b |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 11-hydroxy-12-methoxy-7,7,10a-trimethyl-5,6,6a,8,9,10-hexahydronaphtho[1,2-h]isochromen-4-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3=C2C(=C(C4=C3C(=O)OC=C4)OC)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3=C2C(=C(C4=C3C(=O)OC=C4)OC)O)C)C |
| InChI | InChI=1S/C21H26O4/c1-20(2)9-5-10-21(3)14(20)7-6-12-15-13(8-11-25-19(15)23)18(24-4)17(22)16(12)21/h8,11,14,22H,5-7,9-10H2,1-4H3 |
| InChI Key | STZUUHIHHBZZPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6,6a,8,9,10-hexahydronaphtho[1,2-h]isochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/11-hydroxy-12-methoxy-7710a-trimethyl-566a8910-hexahydronaphtho12-hisochromen-4-one.jpg "2D Structure of 11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6,6a,8,9,10-hexahydronaphtho[1,2-h]isochromen-4-one")
| 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 | 99.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.83% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.78% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.26% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.21% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.60% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.46% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.28% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.98% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.40% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.33% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.06% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.80% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.52% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.87% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.94% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.58% | 91.19% |
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.
| Swartzia arborescens |
| Swartzia langsdorffii |
| PubChem | 162859354 |
| LOTUS | LTS0117693 |
| wikiData | Q105260724 |