[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 51251217-6165-4ef2-8b6f-beac67313528 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C1=O)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O |
| SMILES (Isomeric) | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C1=O)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChI | InChI=1S/C55H32O33/c56-11-6-17(83-50(77)7-1-12(57)30(62)13(58)2-7)45(49-48-41(73)29-28(55(82)87-48)23(37(69)42(74)40(29)72)20-10(52(79)88-49)5-16(61)33(65)36(20)68)84-51(78)9-4-15(60)32(64)35(67)19(9)22-27-25-24-26(53(80)85-47(25)44(76)39(22)71)21(38(70)43(75)46(24)86-54(27)81)18-8(11)3-14(59)31(63)34(18)66/h1-5,17,41,45,48-49,57-76H,6H2 |
| InChI Key | DWPLSWUWIQCXHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C55H32O33 |
| Molecular Weight | 1220.80 g/mol |
| Exact Mass | 1220.0825835 g/mol |
| Topological Polar Surface Area (TPSA) | 580.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/0986d2e0-8625-11ee-8979-7be1c69578ad.jpg "2D Structure of [10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-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 | 99.11% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.21% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.31% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.86% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.58% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.11% | 99.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.19% | 83.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.71% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 90.34% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.18% | 89.34% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.37% | 96.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.43% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.32% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.05% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.92% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.23% | 93.03% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 84.97% | 95.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.90% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.93% | 98.75% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.93% | 94.42% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.92% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.64% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.37% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.74% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.32% | 85.11% |
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.
| Punica granatum |
| PubChem | 163006262 |
| LOTUS | LTS0144805 |
| wikiData | Q104990677 |