Danshenol B
| Internal ID | aadc21f3-8a11-46ad-a204-54330c5fa1e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
| IUPAC Name | (1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1 |
| InChI Key | KZLPKGGMSDHTRS-YTEVENLXSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.70 |
| 189308-09-6 |
| DTXSID80172335 |
| RefChem:919629 |
| DTXCID9094826 |
| (1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one |
| CHEMBL2261307 |
| Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R,10S)- |
| Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R-trans)- |
| orb2279386 |
| SCHEMBL30474993 |
| 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 |
|---|---|---|---|---|---|
| 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 | 99.14% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.34% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.37% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.97% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.26% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.06% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.26% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.84% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.52% | 91.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.65% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.49% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.12% | 92.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.09% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.93% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.75% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.60% | 97.09% |
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.
| Salvia miltiorrhiza |
| PubChem | 3083515 |
| NPASS | NPC212207 |
| ChEMBL | CHEMBL2261307 |
| LOTUS | LTS0244450 |
| wikiData | Q83042437 |