4-[7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]-3-(3-methylbut-2-enyl)benzene-1,2-diol
| Internal ID | 371da162-b5e9-4823-8194-0f01a6e06d13 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans |
| IUPAC Name | 4-[7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]-3-(3-methylbut-2-enyl)benzene-1,2-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)O)C2CCC3=CC(=C(C(=C3O2)CC=C(C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)O)C2CCC3=CC(=C(C(=C3O2)CC=C(C)C)O)OC)C |
| InChI | InChI=1S/C26H32O5/c1-15(2)6-9-19-18(11-12-21(27)24(19)28)22-13-8-17-14-23(30-5)25(29)20(26(17)31-22)10-7-16(3)4/h6-7,11-12,14,22,27-29H,8-10,13H2,1-5H3 |
| InChI Key | VPRXRGLNLDGXIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 4-[7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]-3-(3-methylbut-2-enyl)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/0827b0e0-849c-11ee-8e4a-45f4c7622d5d.jpg "2D Structure of 4-[7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]-3-(3-methylbut-2-enyl)benzene-1,2-diol")
| 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 | 99.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.14% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.80% | 92.94% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.11% | 98.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.96% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.22% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.10% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.44% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.09% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.25% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.15% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.01% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.94% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.28% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.04% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.73% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.75% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.74% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.65% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.41% | 94.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.62% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.49% | 95.78% |
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 | 21580162 |
| LOTUS | LTS0046299 |
| wikiData | Q105290963 |