Hirsutanonol 5-O-glucoside
| Internal ID | 6bef6267-c7f6-4a27-a0de-8fc0974c2eed |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 1,7-bis(3,4-dihydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one |
| SMILES (Canonical) | C1=CC(=C(C=C1CCC(CC(=O)CCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CCC(CC(=O)CCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2 |
| InChI Key | LDAXQCVBWKSHLB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O11 |
| Molecular Weight | 508.50 g/mol |
| Exact Mass | 508.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 0.50 |
| 93915-36-7 |
| 1,7-bis(3,4-dihydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one |
| Hirsutanonol-5-O-beta-D-glucopyranoside |
| 3-Heptanone, 1,7-bis(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-, (S)-; (5S)-1,7-Bis(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-3-heptanone |
| (5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one |
| 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 | 99.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.83% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.80% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.01% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.64% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.44% | 86.92% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.27% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.01% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 83.47% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.50% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.09% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.56% | 97.09% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.28% | 100.00% |
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.
| Alnus japonica |
| Alnus rubra |
| Alnus serrulatoides |
| PubChem | 14707659 |
| LOTUS | LTS0165845 |
| wikiData | Q105150132 |