(8S)-8-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
| Internal ID | d6cb4292-ce45-442c-9314-bad620323b4e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | (8S)-8-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H36O6/c1-17(2)7-6-8-18(3)9-10-20-19(11-12-22(31)28(20)33)24-15-23(32)27-26(35-24)16-25-21(29(27)34)13-14-30(4,5)36-25/h7,9,11-12,16,24,31,33-34H,6,8,10,13-15H2,1-5H3/t24-/m0/s1 |
| InChI Key | ZKXNHDOOHYNYTO-DEOSSOPVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H36O6 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of (8S)-8-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/90dc88f0-8590-11ee-9318-bdf6745fa552.jpg "2D Structure of (8S)-8-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-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 | 99.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.62% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.18% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.12% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.13% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.36% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.21% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.60% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.49% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.03% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.34% | 99.15% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.76% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.19% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.91% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.28% | 85.30% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.48% | 92.68% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.35% | 96.12% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.06% | 97.50% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.49% | 98.11% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.83% | 85.11% |
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.
| Macaranga tanarius |
| PubChem | 162875868 |
| LOTUS | LTS0129251 |
| wikiData | Q105378797 |