[5-Acetyloxy-4-hydroxy-6-[5-hydroxy-4-oxo-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate
Internal ID | 866b468e-1902-40a7-b59f-63e9eedc3e32 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [5-acetyloxy-4-hydroxy-6-[5-hydroxy-4-oxo-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)OC(=O)C)O)OC(=O)C)C5=CC=CC=C5)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)OC(=O)C)O)OC(=O)C)C5=CC=CC=C5)O)O)O)O |
InChI | InChI=1S/C31H34O15/c1-12-21(35)23(37)24(38)30(40-12)44-17-10-18(34)20-19(11-17)45-27(16-8-6-5-7-9-16)28(22(20)36)46-31-29(43-15(4)33)25(39)26(13(2)41-31)42-14(3)32/h5-13,21,23-26,29-31,34-35,37-39H,1-4H3 |
InChI Key | NLVSPWFHWRMUNW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H34O15 |
Molecular Weight | 646.60 g/mol |
Exact Mass | 646.18977037 g/mol |
Topological Polar Surface Area (TPSA) | 217.00 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of [5-Acetyloxy-4-hydroxy-6-[5-hydroxy-4-oxo-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate 2D Structure of [5-Acetyloxy-4-hydroxy-6-[5-hydroxy-4-oxo-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8f91cce0-85cb-11ee-a15a-41d719ffc195.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 | 99.28% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.15% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.30% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.05% | 86.33% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.50% | 95.64% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.68% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.35% | 94.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.06% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.45% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.16% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.97% | 99.17% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.75% | 95.50% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.45% | 81.11% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.72% | 97.36% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.31% | 83.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.12% | 90.00% |
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.
Dryopteris crassirhizoma |
PubChem | 163048931 |
LOTUS | LTS0079807 |
wikiData | Q105181605 |