5,7,3'-trihydroxy-4',5'-(2'''',2''''-dimethylpyran)-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone
| Internal ID | 6f51461d-ac5d-4d72-aeb3-c2928ce50268 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)C |
| InChI | InChI=1S/C30H34O6/c1-16(2)7-9-19-21(13-18-11-12-30(5,6)36-28(18)27(19)34)25-15-24(33)26-23(32)14-22(31)20(29(26)35-25)10-8-17(3)4/h7-8,11-14,25,31-32,34H,9-10,15H2,1-6H3/t25-/m0/s1 |
| InChI Key | WHMJSNMIIPVCHC-VWLOTQADSA-N |
| Popularity | 1 reference 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 | 7.20 |
| 5,7,3'-trihydroxy-4',5'-(2'''',2''''-dimethylpyran)-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone |
| (2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one |
| (2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-2'H,4H-2,6'-bichromen-4-one |
| CHEMBL511455 |
| (2S)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Q27134810 |
| (2S)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-8-(3-methylbut-2-enyl)chroman-4-one |
| [2,6'-bi-2H-1-Benzopyran]-4(3H)-one, 5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-, (2S)- |
| 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% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.12% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.79% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.15% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.12% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.30% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.72% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.93% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.69% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.59% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.24% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.06% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.53% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.30% | 80.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.99% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.27% | 97.09% |
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.
| Dendrolobium lanceolatum |
| PubChem | 3012485 |
| LOTUS | LTS0046891 |
| wikiData | Q27134810 |