Desaspidin
Internal ID | 61a22b57-7348-4f36-b8fb-440b2e285c28 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
IUPAC Name | 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one |
SMILES (Canonical) | CCCC(=O)C1=C(C(=C(C=C1O)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O |
SMILES (Isomeric) | CCCC(=O)C1=C(C(=C(C=C1O)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O |
InChI | InChI=1S/C24H30O8/c1-6-8-14(25)18-16(27)11-17(32-5)12(20(18)28)10-13-21(29)19(15(26)9-7-2)23(31)24(3,4)22(13)30/h11,27-30H,6-10H2,1-5H3 |
InChI Key | XDIZFCKCCMUFFG-UHFFFAOYSA-N |
Popularity | 83 references in papers |
Molecular Formula | C24H30O8 |
Molecular Weight | 446.50 g/mol |
Exact Mass | 446.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 141.00 Ų |
XlogP | 3.80 |
Desaspidin BB |
Rosapin |
Desaspidin [INN] |
114-43-2 |
KV3495SGKS |
60842-45-7 |
Desaspidin (INN) |
2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one |
3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxybutyrophenone |
Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy- |
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 | 98.61% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.16% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.90% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.74% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.47% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.46% | 86.33% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 84.44% | 90.20% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.12% | 83.82% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.78% | 95.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.41% | 94.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.38% | 92.94% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.37% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.31% | 92.62% |
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.
Dryopteris campyloptera |
Dryopteris cristata |
Dryopteris expansa |
PubChem | 8238 |
LOTUS | LTS0154385 |
wikiData | Q904668 |