| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 27 | Yes |
Popular Name: Arctigenin Arctigenin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7770-78-7 , [7770-78-7]
(-)-Arctigenin; 7770-78-7; Arctigenin; C10545
(3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R,4R)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.22 | 7.53 | -17.7 | 1 | 6 | 0 | 74 | 372.417 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Lysosomal alpha-glucosidase(P10253)&Transcription factor p65(Q04206) | Herbal Ingredients Targets |
| PUBCHEM_PATENT_ID | US6063383; WO2000063152A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1-3-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1 | 0.47 | Binding ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 2100 | 0.29 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 420 | 0.33 | Functional ≤ 10μM |
| Z80418-2-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other | Other | 10 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 1 | 0.47 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 1 | 0.47 | Binding ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 2100 | 0.29 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 420 | 0.33 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 10 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ERK1 activation | |
| Interleukin-1 signaling | |
| MEK activation | |
| RAF phosphorylates MEK | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Uptake and function of anthrax toxins |
No pre-computed analogs available. Try a structural similarity search.