Isoforsythiaside
Internal ID | 4b07a31e-f9df-40dd-b770-f767042af4f5 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O |
InChI | InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)28(42-13)41-12-20-23(36)27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)26(39)29(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29+/m0/s1 |
InChI Key | GKRBWXABVALDGQ-GCELSKRESA-N |
Popularity | 6 references in papers |
Molecular Formula | C29H36O15 |
Molecular Weight | 624.60 g/mol |
Exact Mass | 624.20542044 g/mol |
Topological Polar Surface Area (TPSA) | 245.00 Ų |
XlogP | -0.50 |
Isoforsythiaside |
1177581-50-8 |
1357910-26-9 |
[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
Isoforsythoside A |
ACon1_001686 |
HY-N5042 |
MFCD26967853 |
AKOS037514702 |
NCGC00180246-01 |
There are more than 10 synonyms. If you wish to see them all click here. |

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 | 99.71% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.14% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.36% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.96% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.98% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.97% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 92.77% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.18% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.45% | 99.17% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.11% | 97.36% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.04% | 86.92% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.13% | 80.78% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.61% | 96.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.55% | 90.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.36% | 96.37% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.34% | 95.89% |
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.
Forsythia suspensa |
Forsythia viridissima |