[3,4,5-Trihydroxy-6-[4-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | ca96b745-817e-4f58-9a93-7d0779b9215d |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [3,4,5-trihydroxy-6-[4-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)CO)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)CO)O)O)O)O |
InChI | InChI=1S/C32H38O17/c1-43-20-11-16(3-7-18(20)35)5-9-24(37)45-14-23-26(39)28(41)29(42)31(46-23)49-32(15-34)30(27(40)22(13-33)48-32)47-25(38)10-6-17-4-8-19(36)21(12-17)44-2/h3-12,22-23,26-31,33-36,39-42H,13-15H2,1-2H3 |
InChI Key | CZRAPNGXDBHAHC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H38O17 |
Molecular Weight | 694.60 g/mol |
Exact Mass | 694.21089974 g/mol |
Topological Polar Surface Area (TPSA) | 261.00 Ų |
XlogP | -0.40 |
There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[4-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 2D Structure of [3,4,5-Trihydroxy-6-[4-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6ccd3c70-86e8-11ee-a483-23da404fbff0.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.60% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.18% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.04% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.07% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.80% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 90.06% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.64% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.45% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.48% | 94.45% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 85.90% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.98% | 97.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.18% | 89.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.94% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.65% | 90.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.72% | 95.50% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.53% | 95.83% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.15% | 92.62% |
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.
Lilium auratum |
Lilium hansonii |
Lilium henryi |
Lilium longiflorum |
Lilium mackliniae |
Lilium martagon |
Lilium regale |
Lilium speciosum |
PubChem | 162860687 |
LOTUS | LTS0246547 |
wikiData | Q104888941 |