Spiranthesol
| Internal ID | 3ce68e87-e6e5-4896-a869-8d2e5c0cd493 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 6-[2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl]-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)O)C4=C(C(=C5CCC6=C(C5=C4)C(=CC(=C6)OC)O)CC=C(C)C)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)O)C4=C(C(=C5CCC6=C(C5=C4)C(=CC(=C6)OC)O)CC=C(C)C)O)OC)O)C |
| InChI | InChI=1S/C40H42O6/c1-21(2)7-11-28-26-13-10-24-18-35(46-6)38(40(44)37(24)29(26)15-16-33(28)41)32-20-31-27(30(39(32)43)12-8-22(3)4)14-9-23-17-25(45-5)19-34(42)36(23)31/h7-8,15-20,41-44H,9-14H2,1-6H3 |
| InChI Key | HXPPUWDAQKHJLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H42O6 |
| Molecular Weight | 618.80 g/mol |
| Exact Mass | 618.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 9.80 |
| 125263-69-6 |
| 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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.43% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.00% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.19% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.06% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.62% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.17% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.08% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.06% | 92.94% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.95% | 92.68% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.17% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.35% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.24% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.14% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.26% | 91.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.26% | 91.07% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.24% | 98.11% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.68% | 92.38% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.14% | 98.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.07% | 94.00% |
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.
| Spiranthes sinensis |
| Spiranthes vernalis |
| PubChem | 14583239 |
| LOTUS | LTS0231708 |
| wikiData | Q104396684 |