(1R,15R)-3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-trione
| Internal ID | 31048461-30d4-412e-ab62-022cb9833c68 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,15R)-3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-trione |
| SMILES (Canonical) | CC1=CC(=C2C3=C1C(=O)CC4(C3(COC2=O)C5=C(C6=C7C(=C5O4)C(=CC(=C7C(=O)OC6)O)C)O)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C3=C1C(=O)C[C@@]4([C@@]3(COC2=O)C5=C(C6=C7C(=C5O4)C(=CC(=C7C(=O)OC6)O)C)O)O)O |
| InChI | InChI=1S/C26H18O10/c1-8-3-12(28)18-19-14(8)13(29)5-26(33)25(19,7-35-24(18)32)20-21(30)10-6-34-23(31)17-11(27)4-9(2)15(16(10)17)22(20)36-26/h3-4,27-28,30,33H,5-7H2,1-2H3/t25-,26-/m1/s1 |
| InChI Key | KHBPWHLZTSXJPH-CLJLJLNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H18O10 |
| Molecular Weight | 490.40 g/mol |
| Exact Mass | 490.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1R,15R)-3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-trione](https://plantaedb.com/storage/docs/compounds/2023/11/3d573cc0-8506-11ee-9e53-cff38aff9306.jpg "2D Structure of (1R,15R)-3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-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 | 99.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.00% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.01% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.18% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.57% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.46% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.51% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.68% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.92% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.63% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.16% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.15% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.62% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.02% | 96.21% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.23% | 90.24% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.75% | 98.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.64% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.39% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.71% | 96.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.65% | 93.65% |
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.
| Aegiceras corniculatum |
| PubChem | 162911201 |
| LOTUS | LTS0197884 |
| wikiData | Q105141079 |