(2R,3R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
Internal ID | 6e7d148e-1ecf-48f8-8e10-c5a9612f7f86 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | (2R,3R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol |
SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CC(CO)C(CC4=CC(=C(C=C4)O)OC)CO |
SMILES (Isomeric) | COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)C[C@@H](CO)[C@@H](CC4=CC(=C(C=C4)O)OC)CO |
InChI | InChI=1S/C30H36O9/c1-36-26-11-17(4-6-24(26)34)8-20(14-31)21(15-32)9-18-10-22-23(16-33)29(39-30(22)28(12-18)38-3)19-5-7-25(35)27(13-19)37-2/h4-7,10-13,20-21,23,29,31-35H,8-9,14-16H2,1-3H3/t20-,21-,23-,29+/m0/s1 |
InChI Key | CKOFQKTUQVIIGD-ZHYKFZFCSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H36O9 |
Molecular Weight | 540.60 g/mol |
Exact Mass | 540.23593272 g/mol |
Topological Polar Surface Area (TPSA) | 138.00 Ų |
XlogP | 3.10 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.11% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.32% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 91.19% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.18% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.77% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.51% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 86.36% | 98.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.09% | 97.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.91% | 99.15% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 84.79% | 90.20% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.81% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.75% | 86.92% |
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.
Abies pinsapo |
Larix gmelinii var. olgensis |
Taxus mairei |
PubChem | 101767126 |
LOTUS | LTS0196833 |
wikiData | Q104962622 |