Cryptotanshinone
| Internal ID | 33d8cdfe-f26a-44eb-8811-f8324438127f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
| IUPAC Name | (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| SMILES (Canonical) | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
| SMILES (Isomeric) | C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
| InChI | InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1 |
| InChI Key | GVKKJJOMQCNPGB-JTQLQIEISA-N |
| Popularity | 818 references in papers |
| Molecular Formula | C19H20O3 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.80 |
| 35825-57-1 |
| Tanshinone c |
| Cryptotanshinon |
| (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione |
| (15R)-cryptotanshinone |
| C19H20O3 |
| UNII-5E9SXT166N |
| 5E9SXT166N |
| (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| (R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione |
| 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 |
|---|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase |
6410 nM |
Ki |
PMID: 23286284
|
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase |
544 nM 544 nM |
Ki Ki |
PMID: 23286284
via Super-PRED |
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
12589.3 nM |
Potency |
via CMAUP
|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL3180 | O00748 | Carboxylesterase 2 |
290 nM 141 nM 141 nM |
Ki Ki Ki |
PMID: 23286284
PMID: 23286284 via Super-PRED |
| CHEMBL2392 | P06746 | DNA polymerase beta |
22387.2 nM |
Potency |
via CMAUP
|
| CHEMBL1293299 | Q03164 | Histone-lysine N-methyltransferase MLL |
31622.8 nM |
Potency |
via CMAUP
|
| CHEMBL1287622 | Q9Y468 | Lethal(3)malignant brain tumor-like protein 1 |
17782.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
17782.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
12589.3 nM 891.3 nM 891.3 nM |
Potency Potency Potency |
via CMAUP
via CMAUP via Super-PRED |
| CHEMBL5162 | Q6W5P4 | Neuropeptide S receptor |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
33500 nM |
IC50 |
PMID: 23957426
|
| CHEMBL3166 | P29350 | Protein-tyrosine phosphatase 1C |
39500 nM |
IC50 |
PMID: 23957426
|
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C |
45180 nM 22500 nM |
IC50 IC50 |
PMID: 23957426
PMID: 23957426 |
| CHEMBL3521 | P10586 | Receptor-type tyrosine-protein phosphatase F (LAR) |
36900 nM |
IC50 |
PMID: 23957426
|
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 |
4600 nM |
IC50 |
PMID: 22650325
|
| CHEMBL1075138 | Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 |
28183.8 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 | 98.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.98% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.95% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.16% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.19% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.84% | 93.40% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.91% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.47% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.41% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.95% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.14% | 94.80% |
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 | 160254 |
| NPASS | NPC77000 |
| ChEMBL | CHEMBL187460 |
| LOTUS | LTS0192623 |
| wikiData | Q27261913 |