Cianidanol
| Internal ID | c92af3a8-a1aa-45c4-8da1-44247bc5cba6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| InChI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| InChI Key | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| Popularity | 23,363 references in papers |
| Molecular Formula | C15H14O6 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 0.40 |
| Cianidanol |
| CATECHIN |
| 154-23-4 |
| Catechuic acid |
| Catechinic acid |
| Cyanidanol |
| D-Catechin |
| Catergen |
| Cianidol |
| (+)-Catechol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
28183.8 nM |
Potency |
via CMAUP
|
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme |
407 nM |
IC50 |
via Super-PRED
|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
28183.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293237 | P54132 | Bloom syndrome protein |
28183.8 nM 28183.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
450 nM |
Ki |
via Super-PRED
|
| CHEMBL221 | P23219 | Cyclooxygenase-1 |
80000 nM 36700 nM |
IC50 IC50 |
PMID: 16038536
PMID: 11858749 |
| CHEMBL2392 | P06746 | DNA polymerase beta |
12589.3 nM |
Potency |
via CMAUP
|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase |
15848.9 nM |
Potency |
via CMAUP
|
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
25118.9 nM 14125.4 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
19952.6 nM 19952.6 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL5162 | Q6W5P4 | Neuropeptide S receptor |
31622.8 nM |
Potency |
via CMAUP
|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit |
28.2 nM |
Potency |
via Super-PRED
|
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
35481.3 nM |
Potency |
via CMAUP
|
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 | 98.34% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.87% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.65% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.55% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.27% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.19% | 96.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.40% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 84.35% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.47% | 94.73% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.02% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.01% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.01% | 90.00% |
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.
| PubChem | 9064 |
| NPASS | NPC219876 |
| ChEMBL | CHEMBL311498 |
| LOTUS | LTS0117079 |
| wikiData | Q415007 |