(3R)-9-hydroxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione
| Internal ID | 6db6acf2-2ee1-42c9-814b-e1528f8e22ca |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (3R)-7-hydroxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione |
| SMILES (Canonical) | CC1=C(C2=C(C3=C(C=C2)OC(C=C3)(C)CCC=C(C)C)C(=O)C1=O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C3=C(C=C2)O[C@](C=C3)(C)CCC=C(C)C)C(=O)C1=O)O |
| InChI | InChI=1S/C21H22O4/c1-12(2)6-5-10-21(4)11-9-14-16(25-21)8-7-15-17(14)20(24)19(23)13(3)18(15)22/h6-9,11,22H,5,10H2,1-4H3/t21-/m1/s1 |
| InChI Key | MMTXDWTYMPBTOV-OAQYLSRUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.10 |
| 3-Methylteretifolione B |
| 3-methylteretifolinone B |
| CHEMBL469652 |
| NSC-692949 |
| (3R)-9-hydroxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione |
![2D Structure of (3R)-9-hydroxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3r-9-hydroxy-38-dimethyl-3-4-methylpent-3-enylbenzofchromene-710-dione.jpg "2D Structure of (3R)-9-hydroxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.32% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.67% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.24% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.44% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.95% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.77% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.59% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.18% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.50% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.88% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.60% | 96.67% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.42% | 97.28% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.24% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.15% | 90.00% |
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.
| Conospermum incurvum |
| PubChem | 392455 |
| LOTUS | LTS0077832 |
| wikiData | Q104403209 |