6,7-dihydroxy-2',8-dimethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one
| Internal ID | fbb38e42-f626-441d-9e90-696200edaae4 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 6,7-dihydroxy-2',8-dimethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one |
| SMILES (Canonical) | COC1=CC2(CCCC3=C(C(=C(C=C32)O)O)OC)C=CC1=O |
| SMILES (Isomeric) | COC1=CC2(CCCC3=C(C(=C(C=C32)O)O)OC)C=CC1=O |
| InChI | InChI=1S/C17H18O5/c1-21-14-9-17(7-5-12(14)18)6-3-4-10-11(17)8-13(19)15(20)16(10)22-2/h5,7-9,19-20H,3-4,6H2,1-2H3 |
| InChI Key | OJQQUUXGNPFNEZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 6,7-dihydroxy-2',8-dimethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/67-dihydroxy-28-dimethoxyspiro23-dihydro-1h-naphthalene-44-cyclohexa-25-diene-1-one.jpg "2D Structure of 6,7-dihydroxy-2',8-dimethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexa-2,5-diene]-1'-one")
| 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 | 99.74% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.71% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.20% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.75% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.03% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.59% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.42% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.38% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.22% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.88% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.10% | 95.50% |
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 elliptica |
| PubChem | 101816930 |
| LOTUS | LTS0065264 |
| wikiData | Q105193224 |