(R)-Isobyakangelicin 3'-glucoside
Internal ID | 150ea041-4acb-419d-bf5b-e407b308f4c9 |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 8-methoxypsoralens |
IUPAC Name | 4-[2-hydroxy-3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-9-methoxyfuro[3,2-g]chromen-7-one |
SMILES (Canonical) | CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3 |
InChI Key | IDHOCZIKYQXYFE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H28O12 |
Molecular Weight | 496.50 g/mol |
Exact Mass | 496.15807632 g/mol |
Topological Polar Surface Area (TPSA) | 178.00 Ų |
XlogP | 0.00 |
CHEBI:168553 |
4-[2-hydroxy-3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-9-methoxyuro[3,2-g]chromen-7-one |
![2D Structure of (R)-Isobyakangelicin 3'-glucoside 2D Structure of (R)-Isobyakangelicin 3'-glucoside](https://plantaedb.com/storage/docs/compounds/2023/11/r-isobyakangelicin-3-glucoside.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 | 98.17% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.14% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.35% | 83.82% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.15% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.72% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.24% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.07% | 97.25% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.45% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.75% | 96.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.16% | 95.83% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.15% | 94.03% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.94% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.40% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.97% | 86.92% |
CHEMBL2535 | P11166 | Glucose transporter | 81.09% | 98.75% |
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.
Angelica archangelica |
PubChem | 131752521 |
LOTUS | LTS0176669 |
wikiData | Q105111371 |