Capillartemisin A
precursor
Showing entry for Capillartemisin A
Identification
- PhytoHub ID
- PHUB002482
- Name
- Capillartemisin A
- Systematic Name
- Capillartemisin A
- Synonyms
- (E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
- Capillartemisin A
- CAS Number
- 85819-52-9
- Average Mass
- 316.397
- Monoisotopic Mass
- 316.167459253
- Chemical Formula
- C19H24O4
- IUPAC Name
- (2E)-3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(3-methylbut-2-en-1-yl)phenyl}prop-2-enoic acid
- InChI Key
- HEFPIIHDRLNTDN-JBFPSKHUSA-N
- InChI Identifier
InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5+
- SMILES
CC(C)=CCC1=C(O)C(C\C=C(/C)CO)=CC(\C=C\C(O)=O)=C1
- Structure
Structure for Capillartemisin A
Calculated Properties
- Solubility (ALOGPS)
- 4.94e-03 g/l
- LogS (ALOGPS)
- -4.81
- LogP (ALOGPS)
- 3.97
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 7
- Polar Surface Area
- 77.76
- Refractivity
- 95.30109999999999
- Polarizability
- 35.50487064250771
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.7258007175741605
- pKa (strongest acidic)
- 3.74106636967165
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Phenolic acids
- Sub-class
- Hydroxycinnamic acids
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Phenolic acid metabolites
- Metabolite Sub-class
- Cinnamic acids
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Capillartemisin A | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Capillartemisin A | Capillartemisin A | human | plasma | unchanged | 1h-3h | 50-200 nmol/L | Not Available | C19H24O4 | 316.167459253 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|