(10R,11R,12S)-12-Benzoyl-6,6,10,11-tetramethyl-4-propyl-12-hydro-6H,10H-dipyrano[2,3-f
| Internal ID | e48ae8e7-2e91-4de4-a855-701b8060eda9 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Angular pyranocoumarins |
| IUPAC Name | (16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propan-2-yl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one |
| SMILES (Canonical) | CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C(C)C)C4=C2C=CC(O4)(C)C)C |
| SMILES (Isomeric) | C[C@H]1[C@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C(C)C)C4=C2C=CC(O4)(C)C)C |
| InChI | InChI=1S/C22H26O5/c1-10(2)14-9-15(23)26-21-16(14)20-13(7-8-22(5,6)27-20)19-17(21)18(24)11(3)12(4)25-19/h7-12,18,24H,1-6H3/t11-,12+,18-/m0/s1 |
| InChI Key | WIKXOPRRKZJFJP-IUUKEHGRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 | 97.31% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.73% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.18% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.61% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.85% | 90.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.80% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.26% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.08% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.53% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.75% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.36% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.90% | 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.
| Calophyllum brasiliense |
| Calophyllum lanigerum |
| Viscum album |
| PubChem | 511360 |
| LOTUS | LTS0235152 |
| wikiData | Q104987781 |