1-hydroxy-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[5,6-h]isochromene-3,9-dione
| Internal ID | d24873fd-ba2c-4c0c-a0a0-2ca901e1c3dd |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 1-hydroxy-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[5,6-h]isochromene-3,9-dione |
| SMILES (Canonical) | CC1=C2C=C3CCC4C(C(=O)OC(C4(C3CC2OC1=O)C)O)(C)C |
| SMILES (Isomeric) | CC1=C2C=C3CCC4C(C(=O)OC(C4(C3CC2OC1=O)C)O)(C)C |
| InChI | InChI=1S/C19H24O5/c1-9-11-7-10-5-6-14-18(2,3)16(21)24-17(22)19(14,4)12(10)8-13(11)23-15(9)20/h7,12-14,17,22H,5-6,8H2,1-4H3 |
| InChI Key | HCIBZVFRFNDABN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[5,6-h]isochromene-3,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d0d8ccf0-8621-11ee-b220-f3a0df70beb2.jpg "2D Structure of 1-hydroxy-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[5,6-h]isochromene-3,9-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.44% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.85% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.04% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.75% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.44% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.24% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.93% | 95.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.53% | 97.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
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.
| Euphorbia calyptrata |
| PubChem | 85179391 |
| LOTUS | LTS0070508 |
| wikiData | Q105025699 |