Puupehenone
| Internal ID | 37176616-a7b6-4a19-9c43-18f1319cca37 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (4aS,6aS,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17-18,22H,5-9H2,1-4H3/t17-,18+,20-,21-/m0/s1 |
| InChI Key | LOCMLXSTDCXZFJ-YHELAOLJSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.80 |
| NSC 292446 |
| SCHEMBL3038215 |
| (4aS,6aS,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-9-one |
| 9H-Benzo(a)xanthen-9-one, 1,2,3,4,4a,5,6,6a,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (4aalpha,6aalpha,12aalpha,12bbeta)-(+)- |
| 9H-Benzo[a]xanthen-9-one, 1,2,3,4,4a,5,6,6a,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (4aS,6aS,12aR,12bS)- |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2903 | P16050 | Arachidonate 15-lipoxygenase |
760 nM |
IC50 |
via Super-PRED
|
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
680 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.55% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.22% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.88% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.42% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.21% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.93% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.41% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.89% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.78% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.69% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.79% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.25% | 83.57% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.69% | 94.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.16% | 92.94% |
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.
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| There are no matching plants. |
| PubChem | 72536 |
| LOTUS | LTS0214841 |
| wikiData | Q105154637 |