(12S)-17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
| Internal ID | 2327a898-a047-4589-8113-7bff55894d29 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (12S)-17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione |
| SMILES (Canonical) | CC(=C)C1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| InChI | InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3/t16-/m0/s1 |
| InChI Key | BPBNMDXSLVPNFT-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O7 |
| Molecular Weight | 498.50 g/mol |
| Exact Mass | 498.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (12S)-17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione](https://plantaedb.com/storage/docs/compounds/2023/11/f716eda0-8692-11ee-a461-430fa8d1e07a.jpg "2D Structure of (12S)-17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione")
| 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 | 99.53% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.08% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.91% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 93.05% | 91.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.97% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.90% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.29% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.06% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.89% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.04% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.27% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.23% | 90.71% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.03% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.21% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.67% | 94.80% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.85% | 86.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.69% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.65% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.23% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.47% | 95.71% |
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.
| Artocarpus altilis |
| PubChem | 162935284 |
| LOTUS | LTS0213651 |
| wikiData | Q104941435 |