Eucomol
Internal ID | 57781f57-61d8-4364-a4b3-b1a267a5ff47 |
Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans |
IUPAC Name | (3S)-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one |
SMILES (Canonical) | COC1=CC=C(C=C1)CC2(COC3=CC(=CC(=C3C2=O)O)O)O |
SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@@]2(COC3=CC(=CC(=C3C2=O)O)O)O |
InChI | InChI=1S/C17H16O6/c1-22-12-4-2-10(3-5-12)8-17(21)9-23-14-7-11(18)6-13(19)15(14)16(17)20/h2-7,18-19,21H,8-9H2,1H3/t17-/m0/s1 |
InChI Key | BLSFQQNRFOVLGQ-KRWDZBQOSA-N |
Popularity | 2 references in papers |
Molecular Formula | C17H16O6 |
Molecular Weight | 316.30 g/mol |
Exact Mass | 316.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 96.20 Ų |
XlogP | 2.40 |
17934-12-2 |
(3S)-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one |
CHEMBL4557071 |
HY-N7321 |
AKOS040761714 |
XE161750 |
CS-0113294 |
![2D Structure of Eucomol 2D Structure of Eucomol](https://plantaedb.com/storage/docs/compounds/2023/11/eucomol.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 | 99.34% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.30% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.79% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.53% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.57% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.50% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.89% | 99.15% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.44% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.31% | 92.62% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.62% | 93.99% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 82.04% | 98.75% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.96% | 96.77% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.48% | 93.40% |
CHEMBL3820 | P35557 | Hexokinase type IV | 81.12% | 91.96% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.62% | 91.07% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.58% | 96.12% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.47% | 99.17% |
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.
Eucomis bicolor |
Merwilla dracomontana |
PubChem | 101289750 |
LOTUS | LTS0181120 |
wikiData | Q104938136 |