Carpinusin
| Internal ID | 24518778-500b-4e0c-a59a-05ced85cd4e9 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(1R,2R,19S,20S,39R)-8,9,9,13,14,25,26,27,30,31,32,35-dodecahydroxy-4,7,17,22-tetraoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23,25,27,29,31,33-decaen-39-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)41(61,68-31)40(23,59)60/h1-6,18,23,30,32-33,35,39,42-46,48-53,55,59-61H,7H2/t18-,23?,30-,32-,33+,35?,39+,41?/m1/s1 |
| InChI Key | QCCCZTBAYDERBM-NLPUGBIRSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C41H30O27 |
| Molecular Weight | 954.70 g/mol |
| Exact Mass | 954.09744568 g/mol |
| Topological Polar Surface Area (TPSA) | 453.00 Ų |
| XlogP | -1.30 |
| SCHEMBL30917373 |
| .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-[(2R,6R)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] cyclic 1,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate) |
| 161159-55-3 |
| 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 | 99.66% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.85% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.08% | 89.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.50% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.44% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.60% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.17% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.74% | 98.95% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.49% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.34% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.13% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.90% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.75% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.28% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.01% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.74% | 85.31% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.89% | 95.64% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.64% | 96.38% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.81% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.74% | 94.42% |
| CHEMBL3194 | P02766 | Transthyretin | 80.61% | 90.71% |
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.
| Antidesma montanum var. montanum |
| Carpinus laxiflora |
| Euphorbia helioscopia |
| Euphorbia jolkinii |
| PubChem | 5481429 |
| LOTUS | LTS0150744 |
| wikiData | Q100146263 |