Gladiatoside C1
Internal ID | e4da6a72-7384-4997-ba26-59be95526b4f |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)OC(=O)C5=CC=CC=C5OC)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)OC(=O)C5=CC=CC=C5OC)O |
InChI | InChI=1S/C29H26O12/c1-13-22(32)27(41-28(36)17-5-3-4-6-19(17)37-2)25(35)29(38-13)39-16-11-18(31)21-20(12-16)40-26(24(34)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,25,27,29-32,34-35H,1-2H3 |
InChI Key | NEPVCTKYHYAHAZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H26O12 |
Molecular Weight | 566.50 g/mol |
Exact Mass | 566.14242626 g/mol |
Topological Polar Surface Area (TPSA) | 181.00 Ų |
XlogP | 3.40 |
There are no found synonyms. |
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 | 99.58% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.27% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.86% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.11% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.59% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.45% | 89.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.03% | 95.64% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.92% | 97.36% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.02% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.66% | 99.23% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.13% | 95.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.19% | 97.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.54% | 99.15% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.29% | 95.78% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.82% | 83.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.79% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.23% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 84.12% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.74% | 81.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.00% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.61% | 90.71% |
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.
Canavalia gladiata |
PubChem | 85277876 |
LOTUS | LTS0133331 |
wikiData | Q105178103 |