(1R,2S)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Internal ID | f5d71abe-37a5-414f-bad2-16957cf2a386 |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | (1R,2S)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
SMILES (Canonical) | COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]([C@H](CO)OC2=C(C=C(C=C2)CCCO)O)O)O |
InChI | InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3/t18-,19+/m0/s1 |
InChI Key | KMYQEVOSRSCASE-RBUKOAKNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H24O7 |
Molecular Weight | 364.40 g/mol |
Exact Mass | 364.15220310 g/mol |
Topological Polar Surface Area (TPSA) | 120.00 Ų |
XlogP | 1.30 |
There are no found synonyms. |
![2D Structure of (1R,2S)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol 2D Structure of (1R,2S)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s-2-2-hydroxy-4-3-hydroxypropylphenoxy-1-4-hydroxy-3-methoxyphenylpropane-13-diol.jpg)
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 | 99.09% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 97.30% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.47% | 94.45% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 92.91% | 90.20% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.53% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.50% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.44% | 86.92% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.77% | 91.11% |
CHEMBL2535 | P11166 | Glucose transporter | 87.13% | 98.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.31% | 85.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.32% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.98% | 99.15% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.04% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.79% | 96.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.74% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.73% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.01% | 90.71% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.96% | 89.62% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.79% | 90.24% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.61% | 97.50% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.13% | 95.17% |
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.
Juniperus chinensis |
PubChem | 162972955 |
LOTUS | LTS0071553 |
wikiData | Q105143266 |