3-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-5-(3-hydroxypropyl)benzene-1,2-diol
Internal ID | 123a1584-1cbe-4ef7-85ff-9faeaf41c2c2 |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | 3-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-5-(3-hydroxypropyl)benzene-1,2-diol |
SMILES (Canonical) | COC1=C(C=CC(=C1)C(C(CO)C2=C(C(=CC(=C2)CCCO)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]([C@H](CO)C2=C(C(=CC(=C2)CCCO)O)O)O)O |
InChI | InChI=1S/C19H24O7/c1-26-17-9-12(4-5-15(17)22)18(24)14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25/h4-5,7-9,14,18,20-25H,2-3,6,10H2,1H3/t14-,18-/m1/s1 |
InChI Key | ZQZRMATWXNZXDA-RDTXWAMCSA-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) | 131.00 Ų |
XlogP | 1.00 |
There are no found synonyms. |
![2D Structure of 3-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-5-(3-hydroxypropyl)benzene-1,2-diol 2D Structure of 3-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-5-(3-hydroxypropyl)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2857b6a0-8656-11ee-9e42-43af558c4279.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 | 98.46% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.59% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.67% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.43% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.72% | 86.33% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 89.91% | 90.20% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.09% | 99.15% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.08% | 96.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.67% | 89.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.33% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.82% | 95.89% |
CHEMBL3194 | P02766 | Transthyretin | 83.53% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.18% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.98% | 90.71% |
CHEMBL2535 | P11166 | Glucose transporter | 82.48% | 98.75% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.25% | 86.92% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.29% | 93.18% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.70% | 94.00% |
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.
Pinus yunnanensis |
PubChem | 162985356 |
LOTUS | LTS0192053 |
wikiData | Q105381836 |