7,19,27-Tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
| Internal ID | 57a1b4f6-7ec4-4e3e-ac25-b73cf10c6801 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C4C(=CC6=C5C7C(C(O6)(OC8=CC(=CC(=C78)O)O)C9=CC=C(C=C9)O)O)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)O |
| SMILES (Isomeric) | C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C4C(=CC6=C5C7C(C(O6)(OC8=CC(=CC(=C78)O)O)C9=CC=C(C=C9)O)O)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)O |
| InChI | InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2 |
| InChI Key | MMBACJOZVSORQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H34O15 |
| Molecular Weight | 814.70 g/mol |
| Exact Mass | 814.18977037 g/mol |
| Topological Polar Surface Area (TPSA) | 248.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 7,19,27-Tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol](https://plantaedb.com/storage/docs/compounds/2023/11/f9518ad0-8532-11ee-b7b2-bb6129e66a8d.jpg "2D Structure of 7,19,27-Tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol")
| 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 | 99.42% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.06% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.77% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.31% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.91% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.03% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.54% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.87% | 83.82% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.61% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.00% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.88% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.79% | 85.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.52% | 90.93% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.83% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.81% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.05% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.02% | 99.15% |
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.
| Gelsemium elegans |
| Geranium niveum |
| PubChem | 85125051 |
| LOTUS | LTS0241739 |
| wikiData | Q105207351 |