Combretastatin D-1
| Internal ID | 7c17ff20-7d5c-4645-b750-6ae50924ffd1 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | (2S,4R)-13-hydroxy-3,6,15-trioxatetracyclo[14.2.2.110,14.02,4]henicosa-1(19),10(21),11,13,16(20),17-hexaen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16O5/c19-14-7-1-11-2-8-17(20)21-10-16-18(23-16)12-3-5-13(6-4-12)22-15(14)9-11/h1,3-7,9,16,18-19H,2,8,10H2/t16-,18+/m1/s1 |
| InChI Key | COGWIGJGNQCZPK-AEFFLSMTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 2.50 |
| NSC601289 |
| CHEMBL558633 |
| NSC-601289 |
| NCI60_004516 |
| B817373-K318 |
| 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 | 99.36% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.86% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.72% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.22% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.95% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.53% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.17% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.78% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.24% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.75% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.63% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.26% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.17% | 96.09% |
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.
| Combretum caffrum |
| PubChem | 353314 |
| LOTUS | LTS0186253 |
| wikiData | Q105102987 |