(2R)-1-[6-[1-[5,7-dihydroxy-2,2-dimethyl-8-[(2R)-2-methylbutanoyl]-3,4-dihydrochromen-6-yl]-6-methylheptyl]-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylbutan-1-one
| Internal ID | 62fb6828-a7cd-49fb-9df3-cf9e56c7575f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (2R)-1-[6-[1-[5,7-dihydroxy-2,2-dimethyl-8-[(2R)-2-methylbutanoyl]-3,4-dihydrochromen-6-yl]-6-methylheptyl]-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylbutan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58O8/c1-11-22(5)31(41)29-35(45)27(33(43)25-17-19-39(7,8)47-37(25)29)24(16-14-13-15-21(3)4)28-34(44)26-18-20-40(9,10)48-38(26)30(36(28)46)32(42)23(6)12-2/h21-24,43-46H,11-20H2,1-10H3/t22-,23-/m1/s1 |
| InChI Key | IBSBIGPJNFRPAG-DHIUTWEWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H58O8 |
| Molecular Weight | 666.90 g/mol |
| Exact Mass | 666.41316880 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[6-[1-[5,7-dihydroxy-2,2-dimethyl-8-[(2R)-2-methylbutanoyl]-3,4-dihydrochromen-6-yl]-6-methylheptyl]-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/b0e136b0-83dc-11ee-9b62-dd36d9a533cb.jpg "2D Structure of (2R)-1-[6-[1-[5,7-dihydroxy-2,2-dimethyl-8-[(2R)-2-methylbutanoyl]-3,4-dihydrochromen-6-yl]-6-methylheptyl]-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylbutan-1-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 | 98.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.80% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.31% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.74% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.53% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.50% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.94% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.56% | 98.10% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.85% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.12% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.56% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.18% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.96% | 95.56% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.30% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.10% | 97.93% |
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.
| Helichrysum platypterum |
| PubChem | 163042901 |
| LOTUS | LTS0065637 |
| wikiData | Q105110764 |