13-Chloro-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
| Internal ID | c0b61654-5c30-4900-b7ba-a82477ef85cf |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | 13-chloro-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol |
| SMILES (Canonical) | C1C2C3=C(C4=CC(=C(C(=C4C3OC5C(C(C(OC5O2)CO)O)O)O)O)O)C6=C1C(=CC(=C6)O)Cl |
| SMILES (Isomeric) | C1C2C3=C(C4=CC(=C(C(=C4C3OC5C(C(C(OC5O2)CO)O)O)O)O)O)C6=C1C(=CC(=C6)O)Cl |
| InChI | InChI=1S/C23H21ClO10/c24-10-2-6(26)1-8-7(10)4-12-16-14(8)9-3-11(27)17(28)19(30)15(9)21(16)34-22-20(31)18(29)13(5-25)33-23(22)32-12/h1-3,12-13,18,20-23,25-31H,4-5H2 |
| InChI Key | QQWLPAQQNWCXCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H21ClO10 |
| Molecular Weight | 492.90 g/mol |
| Exact Mass | 492.0823246 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 13-Chloro-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/bdf2d740-8557-11ee-974c-ed67ec1caf4a.jpg "2D Structure of 13-Chloro-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol")
| 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 | 99.72% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.69% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.92% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.80% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.58% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 89.26% | 90.71% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 88.96% | 96.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.05% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.70% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.58% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.55% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.25% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.83% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.45% | 95.64% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.11% | 96.37% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.65% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.86% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.04% | 89.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 80.91% | 88.84% |
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.
| Curculigo breviscapa |
| PubChem | 75039020 |
| LOTUS | LTS0082501 |
| wikiData | Q105226110 |