Abscisic acid

Abscisic acid (ABA) is an isoprenoid plant hormone, which is synthesized in the plastidal 2-C-methyl-d-erythritol-4-phosphate (MEP) pathway; unlike the structurally related sesquiterpenes, which are formed from the mevalonic acid-derived precursor farnesyl diphosphate (FDP), the C15 backbone of ABA is formed after cleavage of C40 carotenoids in MEP. Zeaxanthin is the first committed ABA precursor; a series of enzyme-catalyzed epoxidations and isomerizations, and final cleavage of the C40 carotenoid by a dioxygenation reaction yields the proximal ABA precursor, xanthoxin, which is then further oxidized to ABA. Abamine has been patented by the Japanese researchers Shigeo Yoshida and Tadao Asami, which are very reluctant to make this substance available in general, neither commercially nor for research purposes.

The Abscisic acid, with the CAS registry number 14375-45-2, is also known as (2-cis,4-trans)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid. It belongs to the product categories of Sesqui-Terpenoids; Biochemistry; Plant Growth Regulators; Plant Growth Trgulators (Others); Terpenes; Terpenes (Others). This chemical's molecular formula is C₁₅H₂₀O₄ and molecular weight is 264.32. What's more, both its IUPAC name and systematic name are the same which is called (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid. It functions in many plant developmental processes, including bud dormancy. Abscisic acid is an isoprenoid plant hormone, which is synthesized in the plastidal 2-C-methyl-D-erythritol-4-phosphate (MEP) pathway. It can be used to biochemical research. When you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about Abscisic acid are: (1)ACD/LogP: 1.703; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.92; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12) Polar Surface Area: 74.6 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 74.035 cm³; (15)Molar Volume: 221.509 cm³; (16)Surface Tension: 51.57 dyne/cm; (17)Density: 1.193 g/cm³; (18)Flash Point: 245.36 °C; (19)Enthalpy of Vaporization: 82.941 kJ/mol; (20)Boiling Point: 458.74 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(/C(O)(\C=C\C(=C\C(=O)O)C)C(C)(C)C1)C
(2) InChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
(3) InChIKey: JLIDBLDQVAYHNE-WEYXYWBQSA-N