[5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,9,17,19-tetrahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 3,4,5-trihydroxybenzoate
Internal ID | e71a1bb6-eeaa-4b1a-8ac6-d28c1b9592ea |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | [5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,9,17,19-tetrahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
SMILES (Isomeric) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
InChI | InChI=1S/C52H40O22/c53-21-12-30(61)38-36(13-21)73-52(20-3-6-25(56)29(60)11-20)50(72-51(69)19-9-33(64)44(67)34(65)10-19)43(38)41-37(74-52)16-32(63)40-42(45(68)47(71-49(40)41)18-2-5-24(55)28(59)8-18)39-31(62)15-26(57)22-14-35(66)46(70-48(22)39)17-1-4-23(54)27(58)7-17/h1-13,15-16,35,42-43,45-47,50,53-68H,14H2 |
InChI Key | PTILAZABZDCMMW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C52H40O22 |
Molecular Weight | 1016.90 g/mol |
Exact Mass | 1016.20112290 g/mol |
Topological Polar Surface Area (TPSA) | 387.00 Ų |
XlogP | 4.50 |
There are no found synonyms. |
![2D Structure of [5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,9,17,19-tetrahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 3,4,5-trihydroxybenzoate 2D Structure of [5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6,9,17,19-tetrahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c739eca0-8221-11ee-bdb7-0f2f0cdf79be.jpg)
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 | 99.88% | 91.11% |
CHEMBL236 | P41143 | Delta opioid receptor | 97.44% | 99.35% |
CHEMBL233 | P35372 | Mu opioid receptor | 96.74% | 97.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.92% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.90% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 93.01% | 98.75% |
CHEMBL3194 | P02766 | Transthyretin | 92.41% | 90.71% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.16% | 83.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.97% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 90.27% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.80% | 99.23% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.93% | 95.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.89% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.71% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.29% | 90.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.78% | 94.42% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.12% | 99.15% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.69% | 96.38% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.55% | 96.12% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.83% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.76% | 95.56% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.62% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.60% | 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.
Rumex acetosa |
PubChem | 162889256 |
LOTUS | LTS0166117 |
wikiData | Q105214667 |