| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 26 | No |
Popular Name: ROSMARINIC ACID ROSMARINIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20283-92-5 , 537-15-5 , 80225-53-2 , [20283-92-5]
(2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactate; (R)-rosmarinate
(2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid; Rosmarinic acid
(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4-dihydroxyphenyl)lactic acid
3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)e
537-15-5; CPD-6981; rosmarinate; rosmarinic acid
C01850; Rosmarinate; Rosmarinic acid
| 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) | 1.63 | 2.27 | -57.65 | 4 | 8 | -1 | 147 | 359.31 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antiinflammatory, antithrombotic, antiplatelet, cytostatic, antiviral | MicroSource Spectrum |
| Patent Database Links | EP1679058; EP1741439; EP1806123; EP1917960; US2003018222; US2003149097; US2007184114; US2007196507; US2007207977; US2007224154; US2007224155; US2007254021 | ChEBI |
| Target | G2/mitotic-specific cyclin-B1(P14635)&Cell division control protein 2 homolog(P06493)&G1/S-specific cyclin-D1(P24385)&G1/S-specific cyclin-D2(P30279)&G1/S-specific cyclin-E2(O96020)&Cell division protein kinase 2(P24941)&Cell division protein kinase 4(P11 | Herbal Ingredients Targets |
| UniProt Database Links | HPPR_PLESU; PA2H1_BOTPI; RAS_MELOI; RAS_PLESU | ChEBI |
| UniProt Database Links | RAS_MELOI; RAS_PLESU | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3910 | 0.29 | Binding ≤ 10μM |
| FYN-4-E | Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic | Eukaryotes | 7500 | 0.28 | Binding ≤ 10μM |
| Q7ZJM1-1-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral | Viruses | 9000 | 0.27 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 600 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 3910 | 0.29 | Binding ≤ 10μM |
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 4000 | 0.29 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 1300 | 0.32 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 150 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| FCGR activation | |
| GPVI-mediated activation cascade | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| PECAM1 interactions | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Pregnenolone biosynthesis | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| VEGFA-VEGFR2 Pathway |
