(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one
Internal ID | 2ce4f765-7604-41ad-a1aa-5ae56bb69236 |
Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
IUPAC Name | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=C2C(=O)CC(OC2=C(C(=C1)O)C3CC(OC(C3)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
SMILES (Isomeric) | COC1=C2C(=O)C[C@H](OC2=C(C(=C1)O)[C@@H]3C[C@@H](O[C@@H](C3)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
InChI | InChI=1S/C35H34O8/c1-41-32-19-28(39)33(35-34(32)29(40)18-31(43-35)22-7-13-26(38)14-8-22)23-16-27(15-4-20-2-9-24(36)10-3-20)42-30(17-23)21-5-11-25(37)12-6-21/h2-3,5-14,19,23,27,30-31,36-39H,4,15-18H2,1H3/t23-,27+,30+,31+/m1/s1 |
InChI Key | JHPJOKVLYIDVMB-XHCLBPLVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H34O8 |
Molecular Weight | 582.60 g/mol |
Exact Mass | 582.22536804 g/mol |
Topological Polar Surface Area (TPSA) | 126.00 Ų |
XlogP | 5.80 |
There are no found synonyms. |
![2D Structure of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one 2D Structure of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9fe1d940-811c-11ee-b788-a7e447b03361.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 | 97.76% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.03% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.64% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.25% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.43% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.42% | 94.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.79% | 96.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.48% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.97% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.70% | 85.14% |
CHEMBL2535 | P11166 | Glucose transporter | 87.42% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.97% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.04% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.54% | 90.71% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.89% | 97.21% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.85% | 85.31% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.00% | 92.62% |
CHEMBL3820 | P35557 | Hexokinase type IV | 82.84% | 91.96% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.37% | 100.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.04% | 93.99% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.82% | 82.38% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.79% | 97.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.36% | 89.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.37% | 92.94% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.30% | 97.28% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.26% | 85.00% |
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.
Alpinia roxburghii |
PubChem | 10603361 |
LOTUS | LTS0082497 |
wikiData | Q105128142 |