(+)-Tricordatine
| Internal ID | 9d71f10b-92b8-4b0b-b8f9-1f22fea4c669 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (8S,21S)-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene-13,27-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)O)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CCN7C)O4)O)O |
| InChI | InChI=1S/C34H32N2O5/c1-35-11-9-21-17-30-31-18-24(21)25(35)14-20-5-8-27(37)29(15-20)39-23-6-3-19(4-7-23)13-26-32-22(10-12-36(26)2)16-28(38)33(40-30)34(32)41-31/h3-8,15-18,25-26,37-38H,9-14H2,1-2H3/t25-,26-/m0/s1 |
| InChI Key | ZMFKWCVOCDSEST-UIOOFZCWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H32N2O5 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.23112213 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.70 |
| CHEMBL443597 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.82% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.77% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.00% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.54% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.65% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.28% | 91.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.99% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.51% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.02% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.89% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 94.45% |
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.
| Cocculus pendulus |
| Pachygone dasycarpa |
| Triclisia subcordata |
| PubChem | 44559017 |
| LOTUS | LTS0223034 |
| wikiData | Q105379436 |