(1S,3aS,4S,8bS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
| Internal ID | f945221e-18d2-4338-bb76-f6287231da70 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1S,3aS,4S,8bS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C3COC(C3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C=C5)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@@H]2[C@@H]3CO[C@@H]([C@@H]3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C=C5)O)OC)O |
| InChI | InChI=1S/C25H24O7/c1-30-20-7-12(3-5-17(20)27)22-16-11-32-25(13-4-6-18(28)21(8-13)31-2)23(16)15-9-14(26)10-19(29)24(15)22/h3-10,16,22-23,25-29H,11H2,1-2H3/t16-,22+,23+,25+/m0/s1 |
| InChI Key | DWJZQZKBYPWGQS-VXAJDVPFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1S,3aS,4S,8bS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ef568ed0-85a2-11ee-935b-4562e9e6560d.jpg "2D Structure of (1S,3aS,4S,8bS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-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 | 99.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.59% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.74% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.03% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.81% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.46% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.72% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.38% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.47% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.01% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.83% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.30% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.68% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.66% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.26% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.11% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.22% | 94.45% |
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.
| Gnetum klossii |
| PubChem | 163026742 |
| LOTUS | LTS0085066 |
| wikiData | Q104990579 |