4-[(2R,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
| Internal ID | cb2e5d83-8ffd-43b8-8e2b-5e74f8b02f1d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans |
| IUPAC Name | 4-[(2R,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)O)O |
| SMILES (Isomeric) | CC(C)([C@@H]1CC2=C(O1)C=CC3=C2O[C@H](CC3)C4=CC=C(C=C4)O)O |
| InChI | InChI=1S/C20H22O4/c1-20(2,22)18-11-15-17(23-18)10-6-13-5-9-16(24-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3/t16-,18+/m1/s1 |
| InChI Key | RXOBZEGNJOADLO-AEFFLSMTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 4-[(2R,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2r8s-8-2-hydroxypropan-2-yl-3489-tetrahydro-2h-furo23-hchromen-2-ylphenol.jpg "2D Structure of 4-[(2R,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol")
| 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 | 98.22% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.59% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.41% | 95.62% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.04% | 98.35% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.67% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.26% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.09% | 89.05% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.44% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.11% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.77% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.57% | 90.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.47% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.14% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.10% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.47% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.67% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.80% | 96.39% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.61% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.19% | 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.
| Brosimum acutifolium |
| PubChem | 162890440 |
| LOTUS | LTS0103963 |
| wikiData | Q105247191 |