7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan
| Internal ID | a414b02c-36b2-4cec-b6d5-02d7d7a73ae7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | (2S)-2-(6-hydroxy-1,3-benzodioxol-5-yl)-5,8-dimethyl-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | CC1=CC(=C(C2=C1CCC(O2)C3=CC4=C(C=C3O)OCO4)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1CC[C@H](O2)C3=CC4=C(C=C3O)OCO4)C)O |
| InChI | InChI=1S/C18H18O5/c1-9-5-13(19)10(2)18-11(9)3-4-15(23-18)12-6-16-17(7-14(12)20)22-8-21-16/h5-7,15,19-20H,3-4,8H2,1-2H3/t15-/m0/s1 |
| InChI Key | QWXFFEQWLWBPNQ-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.60 |
| CHEBI:186735 |
| LMPK12020251 |
| (2S)-2-(6-hydroxy-1,3-benzodioxol-5-yl)-5,8-dimethyl-3,4-dihydro-2H-chromen-7-ol |
| 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 | 97.20% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.24% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 93.32% | 80.96% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.31% | 96.77% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.17% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 90.02% | 83.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.27% | 91.79% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.86% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.48% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.78% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.69% | 98.95% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 86.90% | 95.70% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.73% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.56% | 91.49% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.53% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.35% | 100.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.64% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.56% | 95.89% |
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.
| Iryanthera laevis |
| PubChem | 44257182 |
| LOTUS | LTS0033921 |
| wikiData | Q76546247 |