7,15,17,26-Tetrahydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-trione
| Internal ID | 46112fb9-95ee-4c29-96d7-168338866ebc |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 7,15,17,26-tetrahydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-trione |
| SMILES (Canonical) | C1C2CC(=O)C3=C(C=C(C=C3O)O)C4=C5C=CC(=O)C6=C(C=CC(=C56)C24C7=C(C1=O)C(=CC=C7)O)O |
| SMILES (Isomeric) | C1C2CC(=O)C3=C(C=C(C=C3O)O)C4=C5C=CC(=O)C6=C(C=CC(=C56)C24C7=C(C1=O)C(=CC=C7)O)O |
| InChI | InChI=1S/C29H18O7/c30-13-10-15-25(23(36)11-13)21(34)8-12-9-22(35)26-16(2-1-3-18(26)31)29(12)17-5-7-20(33)27-19(32)6-4-14(24(17)27)28(15)29/h1-7,10-12,30-31,33,36H,8-9H2 |
| InChI Key | LTJCWOKEBIDYKL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H18O7 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 7,15,17,26-Tetrahydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-trione](https://plantaedb.com/storage/docs/compounds/2023/11/51c39420-861b-11ee-8830-15409b5a9b1b.jpg "2D Structure of 7,15,17,26-Tetrahydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-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 | 99.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.18% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.48% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.23% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.03% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.36% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.49% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.55% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.85% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.81% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.48% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.95% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.24% | 85.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.91% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.86% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.69% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.54% | 82.69% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.98% | 96.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.87% | 95.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.49% | 92.67% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.13% | 90.24% |
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.
| Pulsatilla chinensis |
| PubChem | 25231705 |
| LOTUS | LTS0028804 |
| wikiData | Q105307514 |