(5R,6R,7R,13S,14S,15S)-7,15-bis(4-hydroxyphenyl)-8,12,16-trioxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),10,17(21),18-hexaene-5,6,10,14,18,19-hexol
| Internal ID | 033d67e4-5ab0-4c8d-911f-6ced7501b702 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (5R,6R,7R,13S,14S,15S)-7,15-bis(4-hydroxyphenyl)-8,12,16-trioxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),10,17(21),18-hexaene-5,6,10,14,18,19-hexol |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C4C(=C3)C5=CC(=C(C6=C5C(O4)C(C(O6)C7=CC=C(C=C7)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@@H]2[C@@H]([C@@H](C3=C(O2)C(=C4C(=C3)C5=CC(=C(C6=C5[C@H](O4)[C@H]([C@@H](O6)C7=CC=C(C=C7)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C30H24O11/c31-13-5-1-11(2-6-13)25-22(36)20(34)17-9-16-15-10-18(33)21(35)29-19(15)30(41-27(16)24(38)28(17)39-25)23(37)26(40-29)12-3-7-14(32)8-4-12/h1-10,20,22-23,25-26,30-38H/t20-,22-,23+,25-,26+,30+/m1/s1 |
| InChI Key | LKAPMDIAEFNWQV-QSOFBCQISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H24O11 |
| Molecular Weight | 560.50 g/mol |
| Exact Mass | 560.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (5R,6R,7R,13S,14S,15S)-7,15-bis(4-hydroxyphenyl)-8,12,16-trioxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),10,17(21),18-hexaene-5,6,10,14,18,19-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/fe76d5b0-832d-11ee-bb0a-9b153185e94f.jpg "2D Structure of (5R,6R,7R,13S,14S,15S)-7,15-bis(4-hydroxyphenyl)-8,12,16-trioxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),10,17(21),18-hexaene-5,6,10,14,18,19-hexol")
| 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 | 98.85% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.20% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 90.43% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.07% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.34% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.13% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.52% | 85.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.42% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.18% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.07% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.52% | 85.11% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 81.02% | 93.39% |
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.
| Ligularia muliensis |
| Petasites japonicus |
| Senegalia caffra |
| PubChem | 163001912 |
| LOTUS | LTS0067115 |
| wikiData | Q105351466 |