3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 8f48897c-5046-4cd9-a9ee-36dcefe19f7d |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | 3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(CO)C(C3=CC(=C(C=C3)O)OC)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(CO)C(C3=CC(=C(C=C3)O)OC)O |
InChI | InChI=1S/C30H34O10/c1-36-25-15-20(6-10-22(25)32)8-13-29(34)39-14-4-5-19-7-12-24(27(16-19)38-3)40-28(18-31)30(35)21-9-11-23(33)26(17-21)37-2/h6-13,15-17,28,30-33,35H,4-5,14,18H2,1-3H3 |
InChI Key | ILVXJJSXHREWRQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H34O10 |
Molecular Weight | 554.60 g/mol |
Exact Mass | 554.21519728 g/mol |
Topological Polar Surface Area (TPSA) | 144.00 Ų |
XlogP | 3.90 |
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 | 99.10% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.06% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 97.61% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.12% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.49% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.17% | 94.45% |
CHEMBL3194 | P02766 | Transthyretin | 91.64% | 90.71% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.95% | 91.11% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.74% | 90.71% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 89.74% | 90.20% |
CHEMBL2535 | P11166 | Glucose transporter | 88.52% | 98.75% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.17% | 89.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.30% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.41% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.50% | 85.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.67% | 95.89% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.45% | 95.17% |
CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.31% | 89.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.88% | 90.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.98% | 96.90% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.90% | 95.89% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.89% | 80.78% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.81% | 89.50% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.01% | 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.
Hibiscus cannabinus |
PubChem | 163099754 |
LOTUS | LTS0141552 |
wikiData | Q105115502 |