(3R,10R)-10-(4-hydroxyphenyl)-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,2,9,10-tetrahydropyrano[3,2-f]chromen-8-one
| Internal ID | 8d5e0269-2e23-4653-89c6-389014525823 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (3R,10R)-10-(4-hydroxyphenyl)-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,2,9,10-tetrahydropyrano[3,2-f]chromen-8-one |
| SMILES (Canonical) | CC1=C(C2=C(C(CC(=O)O2)C3=CC=C(C=C3)O)C4=C1OC(CC4)(C)CCCC(C)CCCC(C)CCCC(C)C)C |
| SMILES (Isomeric) | CC1=C(C2=C([C@H](CC(=O)O2)C3=CC=C(C=C3)O)C4=C1O[C@](CC4)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C |
| InChI | InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32-,37-/m1/s1 |
| InChI Key | OIWXAKXWTNBOBE-DJNKGXANSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H54O4 |
| Molecular Weight | 562.80 g/mol |
| Exact Mass | 562.40221020 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 11.50 |
| There are no found synonyms. |
![2D Structure of (3R,10R)-10-(4-hydroxyphenyl)-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,2,9,10-tetrahydropyrano[3,2-f]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/636a8d70-8581-11ee-8959-1b4a0800322e.jpg "2D Structure of (3R,10R)-10-(4-hydroxyphenyl)-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,2,9,10-tetrahydropyrano[3,2-f]chromen-8-one")
| 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 | 99.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.58% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.03% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.02% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.97% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.84% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.98% | 98.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.72% | 93.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.53% | 85.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.15% | 90.93% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.48% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.23% | 91.49% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 85.89% | 93.81% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.29% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.47% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.40% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.05% | 97.79% |
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.
| Prunus grayana |
| PubChem | 101613209 |
| LOTUS | LTS0091199 |
| wikiData | Q105192899 |