[(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 5-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-2,3,4-trihydroxybenzoate
| Internal ID | 5096907f-9903-4229-ba63-86127c5f3efc |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 5-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-2,3,4-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C68H48O44/c69-20-1-12(2-27(38(20)77)104-28-9-19(37(76)52(91)45(28)84)66(101)112-67-54(93)53(92)55-29(105-67)10-102-60(95)13-3-21(70)39(78)46(85)31(13)33-15(62(97)107-55)5-23(72)41(80)48(33)87)59(94)111-68-58-57(109-64(99)17-7-25(74)43(82)50(89)35(17)36-18(65(100)110-58)8-26(75)44(83)51(36)90)56-30(106-68)11-103-61(96)14-4-22(71)40(79)47(86)32(14)34-16(63(98)108-56)6-24(73)42(81)49(34)88/h1-9,29-30,53-58,67-93H,10-11H2/t29-,30-,53-,54-,55-,56-,57+,58-,67-,68-/m1/s1 |
| InChI Key | CIXXTDZPPRUFOL-RBPIABKVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C68H48O44 |
| Molecular Weight | 1569.10 g/mol |
| Exact Mass | 1568.1518448 g/mol |
| Topological Polar Surface Area (TPSA) | 744.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 5-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-2,3,4-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/91397370-836b-11ee-8577-67637c8e4240.jpg "2D Structure of [(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 5-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-2,3,4-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 | 98.83% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 93.04% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.87% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.99% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.47% | 97.21% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.30% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.98% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.41% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.27% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.08% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.56% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.65% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.94% | 83.57% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.85% | 95.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.61% | 89.63% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.21% | 96.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.75% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.55% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.37% | 96.38% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.39% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.17% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.03% | 95.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.98% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.60% | 90.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 81.31% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.14% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.10% | 93.40% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.69% | 96.00% |
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.
| Potentilla erecta |
| PubChem | 163191839 |
| LOTUS | LTS0091845 |
| wikiData | Q104960623 |