[(1S,3R,9R,10S,11R,14R,21S,23R)-1,3,12,21,23-pentahydroxy-4,7,17,24-tetraoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,8,13,16,22-pentaoxahexacyclo[16.5.2.03,21.06,20.09,14.019,23]pentacosa-5,18(25)-dien-10-yl] 3,4,5-trihydroxybenzoate
| Internal ID | a10cc788-4675-411a-bb86-186f4b25394d |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(1S,3R,9R,10S,11R,14R,21S,23R)-1,3,12,21,23-pentahydroxy-4,7,17,24-tetraoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,8,13,16,22-pentaoxahexacyclo[16.5.2.03,21.06,20.09,14.019,23]pentacosa-5,18(25)-dien-10-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H26O24/c35-12-1-8(2-13(36)21(12)41)26(43)55-24-23-16(53-30(47)25(24)56-27(44)9-3-14(37)22(42)15(38)4-9)7-52-28(45)10-5-17(39)31(48)33(50)19(10)20-11(29(46)54-23)6-18(40)32(49,57-31)34(20,51)58-33/h1-6,16,19-20,23-25,30,35-38,41-42,47-51H,7H2/t16-,19?,20?,23-,24+,25-,30?,31+,32-,33-,34+/m1/s1 |
| InChI Key | ISWGRLQUNNCHSN-ZSTBCDBSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H26O24 |
| Molecular Weight | 818.60 g/mol |
| Exact Mass | 818.08140169 g/mol |
| Topological Polar Surface Area (TPSA) | 390.00 Ų |
| XlogP | -3.70 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,9R,10S,11R,14R,21S,23R)-1,3,12,21,23-pentahydroxy-4,7,17,24-tetraoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,8,13,16,22-pentaoxahexacyclo[16.5.2.03,21.06,20.09,14.019,23]pentacosa-5,18(25)-dien-10-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/9efa7360-8713-11ee-9f10-f54dd91f28bb.jpg "2D Structure of [(1S,3R,9R,10S,11R,14R,21S,23R)-1,3,12,21,23-pentahydroxy-4,7,17,24-tetraoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,8,13,16,22-pentaoxahexacyclo[16.5.2.03,21.06,20.09,14.019,23]pentacosa-5,18(25)-dien-10-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.36% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.63% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.44% | 83.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.95% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.07% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.51% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.12% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.15% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.02% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.32% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.97% | 91.07% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.22% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.71% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.66% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.16% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 80.64% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.58% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.40% | 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.
| Carpinus japonica |
| PubChem | 102341270 |
| LOTUS | LTS0127600 |
| wikiData | Q105119843 |