26-[(16,24-Dihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaen-5-yl)oxy]-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol
| Internal ID | 2fa39f2b-139e-40c6-8b5a-c3887c331c34 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 26-[(16,24-dihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaen-5-yl)oxy]-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol |
| SMILES (Canonical) | C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C(=C3)OC6=CC7=C(C=C6)C8=C(C=C(CCC9=CC(=C(C=C9)O)OC1=CC=C(CC7)C=C1)C=C8)O)O |
| SMILES (Isomeric) | C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C(=C3)OC6=CC7=C(C=C6)C8=C(C=C(CCC9=CC(=C(C=C9)O)OC1=CC=C(CC7)C=C1)C=C8)O)O |
| InChI | InChI=1S/C56H46O8/c57-42-16-23-47-39(30-42)13-3-34-6-17-44(18-7-34)63-56-29-38(12-26-51(56)59)5-15-41-32-53(61)49(47)33-54(41)64-45-21-24-46-40(31-45)14-4-35-8-19-43(20-9-35)62-55-28-37(11-25-50(55)58)2-1-36-10-22-48(46)52(60)27-36/h6-12,16-33,57-61H,1-5,13-15H2 |
| InChI Key | RUJCFHBRBGIGNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H46O8 |
| Molecular Weight | 847.00 g/mol |
| Exact Mass | 846.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 13.00 |
| There are no found synonyms. |
![2D Structure of 26-[(16,24-Dihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaen-5-yl)oxy]-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2f19e880-85e0-11ee-8b7f-afff13457341.jpg "2D Structure of 26-[(16,24-Dihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaen-5-yl)oxy]-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol")
| 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 | 99.31% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.08% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.40% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.36% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 93.73% | 97.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.17% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.82% | 91.79% |
| CHEMBL3194 | P02766 | Transthyretin | 91.03% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.29% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.74% | 99.17% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.23% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.50% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.14% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.03% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.89% | 96.09% |
| CHEMBL1293289 | P25440 | Bromodomain-containing protein 2 | 84.59% | 86.19% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.35% | 91.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.12% | 97.53% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.46% | 92.94% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.39% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.17% | 86.92% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.14% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.26% | 98.95% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.12% | 95.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.04% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.76% | 85.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.55% | 90.71% |
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.
| Blasia pusilla |
| PubChem | 163192715 |
| LOTUS | LTS0189215 |
| wikiData | Q105245641 |