4-[(2S)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl]phenol
| Internal ID | a8d8bc65-345b-47d2-9a68-7347a74a84d2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans |
| IUPAC Name | 4-[(2S)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl]phenol |
| SMILES (Canonical) | CC1(CCC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)O)C |
| SMILES (Isomeric) | CC1(CCC2=C(O1)C=CC3=C2O[C@@H](CC3)C4=CC=C(C=C4)O)C |
| InChI | InChI=1S/C20H22O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10,17,21H,5,9,11-12H2,1-2H3/t17-/m0/s1 |
| InChI Key | ACLDYNNXBJRZDR-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 4-[(2S)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s-88-dimethyl-34910-tetrahydro-2h-pyrano23-fchromen-2-ylphenol.jpg "2D Structure of 4-[(2S)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]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 | 98.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.35% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.15% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.99% | 91.79% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.15% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.95% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.64% | 97.93% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.28% | 98.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.60% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.46% | 93.40% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.64% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.14% | 85.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.73% | 93.99% |
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 | 163026722 |
| LOTUS | LTS0023516 |
| wikiData | Q104909160 |