[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,5-dihydroxy-4-methoxybenzoate
Internal ID | a8dbcb65-e244-40e8-a52e-449f18aa17ad |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,5-dihydroxy-4-methoxybenzoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)OC)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)OC)O)O |
InChI | InChI=1S/C29H26O14/c1-11-21(35)26(42-28(38)13-7-17(33)25(39-2)18(34)8-13)23(37)29(40-11)43-27-22(36)20-16(32)9-15(31)10-19(20)41-24(27)12-3-5-14(30)6-4-12/h3-11,21,23,26,29-35,37H,1-2H3 |
InChI Key | AYSKZHKNQWJAPA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H26O14 |
Molecular Weight | 598.50 g/mol |
Exact Mass | 598.13225550 g/mol |
Topological Polar Surface Area (TPSA) | 222.00 Ų |
XlogP | 2.70 |
There are no found synonyms. |
![2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,5-dihydroxy-4-methoxybenzoate 2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,5-dihydroxy-4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a2549480-85c8-11ee-8e08-a994a51b655e.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 | 98.76% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.16% | 89.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.94% | 95.64% |
CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.27% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.54% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.43% | 94.00% |
CHEMBL3194 | P02766 | Transthyretin | 92.69% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.21% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.58% | 96.09% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.12% | 94.42% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.05% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.44% | 90.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.02% | 95.78% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.46% | 94.73% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.22% | 90.71% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.70% | 81.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.84% | 95.89% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.29% | 83.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.21% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 81.00% | 98.75% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.16% | 91.19% |
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.
Pterogyne nitens |
PubChem | 74343916 |
LOTUS | LTS0155973 |
wikiData | Q104921358 |