(11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
| Internal ID | 29e9c767-90e1-4a8f-bf57-79f4c02a0efd |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one |
| SMILES (Canonical) | CC1CC2=C(C3=C(C(=C2O1)O)C4(CCC(=C(C4=CC3=O)C)C)C)O |
| SMILES (Isomeric) | CC1CC2=C(C3=C(C(=C2O1)O)[C@]4(CCC(=C(C4=CC3=O)C)C)C)O |
| InChI | InChI=1S/C20H22O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h8,10,22-23H,5-7H2,1-4H3/t10?,20-/m0/s1 |
| InChI Key | IQGPVLVWUUPQMQ-IEOXRBHFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.60 |
| ZINC00899667 |
![2D Structure of (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one](https://plantaedb.com/storage/docs/compounds/2023/07/11bs-711-dihydroxy-34911b-tetramethyl-1289-tetrahydronaphtho21-f1benzofuran-6-one.jpg "2D Structure of (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-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 | 98.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.25% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.49% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.22% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.36% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.04% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.97% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.95% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.81% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.05% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.90% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.82% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.17% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.16% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.78% | 85.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.61% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.94% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.29% | 85.14% |
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.
| Clerodendrum bungei |
| PubChem | 44577053 |
| NPASS | NPC475055 |
| ChEMBL | CHEMBL494641 |
| LOTUS | LTS0198482 |
| wikiData | Q105117809 |