| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 16 | Yes |
Popular Name: 7-Hydroxycoumarin-4-acetic acid 7-Hydroxycoumarin-4-acetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6950-82-9 , [6950-82-9]
(7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid
(7-Hydroxycoumarin-4-yl)acetic acid
2H-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo-
7-Hydroxy-4-coumarinylacetic acid
7-Hydroxy-4-coumarinylacetic acid, 97.0%+
7-hydroxycoumarin-4-aceticacid
| 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) | 0.86 | 3.47 | -46.37 | 1 | 5 | -1 | 91 | 219.172 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 209 - 210 | Acros Organics |
| MP | >195° (dec.) | Fluorochem |
| MP | >195°(dec) | Matrix Scientific |
| Purity | >97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H332: Harmful if inhaled; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 150 | 0.60 | Binding ≤ 10μM |
| FYN-4-E | Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic | Eukaryotes | 150 | 0.60 | Binding ≤ 10μM |
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 35 | 0.65 | Binding ≤ 10μM |
| P85A-2-E | PI3-kinase P85-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9300 | 0.44 | Binding ≤ 10μM |
| P85B-2-E | PI3-kinase P85-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9300 | 0.44 | Binding ≤ 10μM |
| PLCG1-1-E | Phospholipase C-gamma-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4900 | 0.46 | Binding ≤ 10μM |
| PLCG2-2-E | Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4900 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 150 | 0.60 | Binding ≤ 1μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 150 | 0.60 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 35 | 0.65 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 150 | 0.60 | Binding ≤ 10μM |
| PLCG1_HUMAN | P19174 | Phospholipase C-gamma-1, Human | 4900 | 0.46 | Binding ≤ 10μM |
| PLCG2_HUMAN | P16885 | Phospholipase C-gamma-2, Human | 4900 | 0.46 | Binding ≤ 10μM |
| P85A_HUMAN | P27986 | PI3-kinase P85-alpha Subunit, Human | 9300 | 0.44 | Binding ≤ 10μM |
| P85B_HUMAN | O00459 | PI3-kinase P85-beta Subunit, Human | 9300 | 0.44 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 150 | 0.60 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 35 | 0.65 | Binding ≤ 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 | |
| Costimulation by the CD28 family | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAG and IP3 signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| EGFR interacts with phospholipase C-gamma | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| Frs2-mediated activation | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GP1b-IX-V activation signalling | |
| GPVI-mediated activation cascade | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-7 signaling | |
| ISG15 antiviral mechanism | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phospholipase C-mediated cascade | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| PLC-gamma1 signalling | |
| PLCG1 events in ERBB2 signaling | |
| Pregnenolone biosynthesis | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Rho GTPase cycle | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Role of second messengers in netrin-1 signaling | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Signaling by constitutively active EGFR | |
| Signaling by ERBB2 | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by SCF-KIT | |
| Synthesis of IP3 and IP4 in the cytosol | |
| Synthesis of PIPs at the plasma membrane | |
| Tie2 Signaling | |
| Toll Like Receptor 4 (TLR4) Cascade | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.