Cuminaldehyde
precursor
Showing entry for Cuminaldehyde
Identification
- PhytoHub ID
- PHUB000038
- Name
- Cuminaldehyde
- Synonyms
- Cumaldehyde
- Cuminal
- CAS Number
- Not Available
- Average Mass
- 148.205
- Monoisotopic Mass
- 148.088815006
- Chemical Formula
- C10H12O
- IUPAC Name
- cuminaldehyde
- InChI Key
- WTWBUQJHJGUZCY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
- SMILES
[H]C(=O)C1=CC=C(C=C1)C(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.46e-01 g/l
- LogS (ALOGPS)
- -3.01
- LogP (ALOGPS)
- 2.73
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 2
- Polar Surface Area
- 17.07
- Refractivity
- 46.8328
- Polarizability
- 17.0622681317842
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.103469274977909
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 28671
- PubChem
- 326
- Chemistry Dashboard
- DTXSID9021974
- KNApSAcK
- C00003039
- MetaboLights
- MTBLC28671
- FooDB (Compounds)
- FDB008724
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP007146 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP008712 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP009603 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cumin | Herbs and Spices | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | |||
|---|---|---|---|---|---|---|
| Cuminaldehyde | Cuminaldehyde metabolite 1 | rabbit | urine | Publications | ||
| Cuminaldehyde | Cuminaldehyde metabolite 2 | rabbit | urine | Publications | ||
| Cuminaldehyde | Cuminaldehyde metabolite 3 | rabbit | urine | Publications | ||
| Cuminaldehyde | Cuminaldehyde metabolite 4 | rabbit | urine | Publications | ||
| Cuminaldehyde | Cuminaldehyde metabolite 5 | rabbit | urine | Publications |
Cuminaldehyde