[3-Acetyloxy-5-[2,4,7,9-tetraacetyloxy-8-[2,4-diacetyloxy-6-(2,4,7,9-tetraacetyloxydibenzo-p-dioxin-1-yl)oxyphenyl]dibenzo-p-dioxin-1-yl]oxyphenyl] acetate
| Internal ID | fd8eac71-8c5c-4e22-83f9-3d41c1d686dc |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | [3-acetyloxy-5-[2,4,7,9-tetraacetyloxy-8-[2,4-diacetyloxy-6-(2,4,7,9-tetraacetyloxydibenzo-p-dioxin-1-yl)oxyphenyl]dibenzo-p-dioxin-1-yl]oxyphenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC(=CC(=C1)OC2=C(C=C(C3=C2OC4=C(C(=C(C=C4O3)OC(=O)C)C5=C(C=C(C=C5OC(=O)C)OC(=O)C)OC6=C(C=C(C7=C6OC8=C(O7)C=C(C=C8OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1=CC(=CC(=C1)OC2=C(C=C(C3=C2OC4=C(C(=C(C=C4O3)OC(=O)C)C5=C(C=C(C=C5OC(=O)C)OC(=O)C)OC6=C(C=C(C7=C6OC8=C(O7)C=C(C=C8OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C60H46O30/c1-23(61)73-35-13-36(74-24(2)62)15-37(14-35)85-54-45(80-30(8)68)21-47(82-32(10)70)56-59(54)90-53-49(88-56)20-42(78-28(6)66)51(58(53)84-34(12)72)50-40(77-27(5)65)16-38(75-25(3)63)17-41(50)86-55-46(81-31(9)69)22-48(83-33(11)71)57-60(55)89-52-43(79-29(7)67)18-39(76-26(4)64)19-44(52)87-57/h13-22H,1-12H3 |
| InChI Key | AYZDJRUXCRAYJZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C60H46O30 |
| Molecular Weight | 1247.00 g/mol |
| Exact Mass | 1246.20739005 g/mol |
| Topological Polar Surface Area (TPSA) | 371.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [3-Acetyloxy-5-[2,4,7,9-tetraacetyloxy-8-[2,4-diacetyloxy-6-(2,4,7,9-tetraacetyloxydibenzo-p-dioxin-1-yl)oxyphenyl]dibenzo-p-dioxin-1-yl]oxyphenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b54deeb0-8635-11ee-9c27-4538aafaeebd.jpg "2D Structure of [3-Acetyloxy-5-[2,4,7,9-tetraacetyloxy-8-[2,4-diacetyloxy-6-(2,4,7,9-tetraacetyloxydibenzo-p-dioxin-1-yl)oxyphenyl]dibenzo-p-dioxin-1-yl]oxyphenyl] acetate")
| 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 | 95.28% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.22% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.44% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.71% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.51% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.25% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.67% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.99% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.80% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.56% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.18% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 162947656 |
| LOTUS | LTS0071672 |
| wikiData | Q104921530 |