(2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | f27c60ca-d248-44e1-a154-32e6bd78215a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC4=C(C(=C3)O)OC(CC4)(C)C=CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC4=C(C(=C3)O)O[C@](CC4)(C)/C=C/C=C(C)C)O)C |
| InChI | InChI=1S/C30H34O6/c1-17(2)7-6-11-30(5)12-10-19-13-20(14-24(33)29(19)36-30)25-16-23(32)27-26(35-25)15-22(31)21(28(27)34)9-8-18(3)4/h6-8,11,13-15,25,31,33-34H,9-10,12,16H2,1-5H3/b11-6+/t25-,30+/m0/s1 |
| InChI Key | BPINYPJAFFJSJA-POJMBBGPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O6 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b4282b10-8368-11ee-8425-b37e56a154be.jpg "2D Structure of (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-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 | 99.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.85% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.20% | 85.14% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.21% | 99.35% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.48% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.47% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.78% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.43% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.25% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.10% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.92% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.93% | 80.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.07% | 89.34% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.75% | 97.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.30% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.95% | 99.23% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.82% | 92.68% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.63% | 97.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.44% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.71% | 92.94% |
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 | 163018814 |
| LOTUS | LTS0182013 |
| wikiData | Q104942337 |