(4aS,12bR)-9-hydroxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione
| Internal ID | 9079906f-5952-48e3-b827-f2eeda33945f |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (4aS,12bR)-9-hydroxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione |
| SMILES (Canonical) | CC1=CC2C(CC1)C(OC3=C2C(=O)C4=C(C3=O)C=C(C=C4)O)(C)C |
| SMILES (Isomeric) | CC1=C[C@@H]2[C@H](CC1)C(OC3=C2C(=O)C4=C(C3=O)C=C(C=C4)O)(C)C |
| InChI | InChI=1S/C20H20O4/c1-10-4-7-15-14(8-10)16-17(22)12-6-5-11(21)9-13(12)18(23)19(16)24-20(15,2)3/h5-6,8-9,14-15,21H,4,7H2,1-3H3/t14-,15+/m1/s1 |
| InChI Key | VDAPGBHGKOVYLA-CABCVRRESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (4aS,12bR)-9-hydroxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4as12br-9-hydroxy-255-trimethyl-344a12b-tetrahydronaphtho32-cisochromene-712-dione.jpg "2D Structure of (4aS,12bR)-9-hydroxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-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 | 98.29% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.16% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.80% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.12% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.94% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.32% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.47% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.72% | 91.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.31% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.00% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.89% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.86% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.55% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.31% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.86% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.55% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.73% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.71% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.54% | 96.09% |
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.
| Stereospermum kunthianum |
| PubChem | 5320803 |
| LOTUS | LTS0088582 |
| wikiData | Q105284058 |