(1S,2R,3S)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol
| Internal ID | 6d660426-f030-4217-a4ee-78092a49529b |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (1S,2R,3S)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C2C(C(C3=C2C=C(C=C3O)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]([C@H]2[C@@H]([C@H](C3=C2C=C(C=C3O)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
| InChI | InChI=1S/C29H26O9/c1-38-24-9-14(3-5-21(24)34)29(37)28-19-11-18(32)12-23(36)27(19)25(13-2-4-20(33)22(35)8-13)26(28)15-6-16(30)10-17(31)7-15/h2-12,25-26,28-37H,1H3/t25-,26-,28-,29-/m1/s1 |
| InChI Key | IEIFZVDJLHSYFG-BOXYVWFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H26O9 |
| Molecular Weight | 518.50 g/mol |
| Exact Mass | 518.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1S,2R,3S)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2a7b4d50-874a-11ee-b964-2ddae4b686a1.jpg "2D Structure of (1S,2R,3S)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-4,6-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 | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.77% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.17% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.06% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.86% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.72% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.69% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.47% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 88.41% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.06% | 88.48% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.94% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.44% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.08% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.89% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.15% | 100.00% |
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 hainanense |
| PubChem | 102013515 |
| LOTUS | LTS0150902 |
| wikiData | Q105111784 |