| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 10 | No |
Popular Name: cinnamaldehyde cinnamaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-55-2 , 14371-10-9 , [104-55-2] , [14371-10-9]
(E)-3-phenyl-2-propenal(E)-cinnamaldehyde; Cinnamaldehyde; bmse010257
104-55-2; C00903; Cinnamaldehyde
CHEBI:181858; CHEBI:3709; CHEBI:13994; CHEBI:23244
Trans-Cinnamaldehyde D=1, 05 [14371-10-9]; (3-Phenyl-2-Propenal)
| 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) | 2.48 | 5.49 | -7.64 | 0 | 1 | 0 | 17 | 132.162 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 7.5 | Acros Organics |
| MP | 8 | TCI |
| Melting_Point | 8? | Alfa-Aesar |
| Melting_Point | 8° | Alfa-Aesar |
| MP | 9--4 °C(lit.) | Indofine |
| BP [°C] | 250 - 252 | Acros Organics |
| Boiling_Point | 250-252? | Alfa-Aesar |
| Boiling_Point | 250-252° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ADHC1_MYCS2; ADHC2_MYCS2; ADHN_AMYME; ALDO1_ARATH; ALDO2_ARATH; ALDO3_ARATH; CCR1_ARATH; CCR2_ARATH; DBR_TOBAC | ChEBI |
| Target | Cyclin-dependent kinase inhibitor 1(P38936)&Eukaryotic translation initiation factor 6(P56537)&Cyclin-dependent kinase inhibitor 2A, isoforms 1/2/3(P42771)&Eukaryotic translation elongation factor 1 epsilon-1(O43324)&Ornithine decarboxylase(P11926)&26S pr | Herbal Ingredients Targets |
| Patent Database Links | EP1000937; EP1067116; EP1067174; EP1074550; EP1422218; EP1666021; EP1925311; EP1990639; GB2014030; GB2045049; US2003065210; US2003163004; US2004116538; US2004254196; US2005148492; US2005245759; US2007189977; US2007189978; US2007196325; US2007196452; US200 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H317: May cause an allergic skin reaction | Acros Organics |
| 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; P280: Wear 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; P280: Wear prot | Acros Organics |
| R phrase | R21: Harmful in contact with skin. | Acros Organics |
| R phrase | R21: Harmful in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| S phrase | S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1-2-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 6500 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1_HUMAN | O75762 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Human | 6500 | 0.73 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
