(6aR,10aS)-11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6a,7,9,10,10a-hexahydro-4H-phenanthro[1,2-c]pyran-4,8(6H)-dione
| Internal ID | 55ec6bd6-ad00-4a1d-a60f-3975f3e2505c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-6,6a,9,10-tetrahydro-5H-naphtho[1,2-h]isochromene-4,8-dione |
| SMILES (Canonical) | CC1(C2CCC3=C(C2(CCC1=O)C)C(=C(C4=C3C(=O)OC=C4)OC)O)C |
| SMILES (Isomeric) | C[C@]12CCC(=O)C([C@@H]1CCC3=C2C(=C(C4=C3C(=O)OC=C4)OC)O)(C)C |
| InChI | InChI=1S/C21H24O5/c1-20(2)13-6-5-11-15-12(8-10-26-19(15)24)18(25-4)17(23)16(11)21(13,3)9-7-14(20)22/h8,10,13,23H,5-7,9H2,1-4H3/t13-,21-/m0/s1 |
| InChI Key | DZAIPEFYJZKDHX-ZSEKCTLFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.70 |
| CHEMBL3765570 |
| DTXSID40578071 |
| (6aR,10aS)-11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6a,7,9,10,10a-hexahydro-4H-phenanthro[1,2-c]pyran-4,8(6H)-dione |
![2D Structure of (6aR,10aS)-11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6a,7,9,10,10a-hexahydro-4H-phenanthro[1,2-c]pyran-4,8(6H)-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f91fa710-8284-11ee-9124-5556f34a7e65.jpg "2D Structure of (6aR,10aS)-11-Hydroxy-12-methoxy-7,7,10a-trimethyl-5,6a,7,9,10,10a-hexahydro-4H-phenanthro[1,2-c]pyran-4,8(6H)-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 | 99.24% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.37% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.47% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.62% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.85% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.16% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.14% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.17% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.79% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.47% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.58% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.26% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.04% | 92.62% |
| CHEMBL240 | Q12809 | HERG | 83.92% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.71% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.49% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.39% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.36% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.49% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.86% | 94.75% |
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.
| Swartzia arborescens |
| PubChem | 15762190 |
| LOTUS | LTS0060609 |
| wikiData | Q82468230 |