| Weight | 180.167 g/mol |
|---|---|
| Formula | C7H8N4O2 |
| Hydrogen Acceptors | 5 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 0 |
Theobromine (83-67-0)
Score:
#1105 in Biology
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#1244 in Chemistry
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- A STUDY OF THE METABOLISM OF THEOBROMINE, THEOPHYLLINE, AND CAFFEINE IN MAN (Journal of Biological Chemistry, 1957)
- Biotransformation of caffeine, paraxanthine, theobromine and theophylline by cDNA-expressed human CYP1A2 and CYP2E1. (Pharmacogenetics, 1992)
- Biotransformation of caffeine, paraxanthine, theophylline, and theobromine by polycyclic aromatic hydrocarbon-inducible cytochrome(s) P-450 in human liver microsomes. (Drug Metabolism and Disposition, 1987)
- AN ULTRAVIOLET SPECTROPHOTOMETRIC METHOD FOR THE DETERMINATION OF THEOPHYLLINE AND THEOBROMINE IN BLOOD AND TISSUES (Journal of Pharmacology and Experimental Therapeutics, 1949)
- Application of RNAi to confirm theobromine as the major intermediate for caffeine biosynthesis in coffee plants with potential for construction of decaffeinated varieties. (Plant Molecular Biology, 2004)
- Antioxidant and prooxidant properties of caffeine, theobromine and xanthine (Medical Science Monitor, 2003)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - H302: Harmful if swallowed
Warning Acute toxicity, oral - Category 4 - H360: May damage fertility or the unborn child
Danger Reproductive toxicity - Category 1A, 1B -
SMILESCN1C=NC2=C1C(=O)NC(=O)N2C
-
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
- Pubchem - Theobromine
- Wikipedia - theobromine
Theobromine, formerly known as xantheose, is a bitter alkaloid of the cacao plant, with the chemical formula C7H8N4O2. It is found in chocolate, as well as in a number of other foods, including the leaves of the tea plant, and the kola (or cola) nut. It is classified as a xanthine alkaloid, which also include the similar compounds theophylline and caffeine.
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