Abscisic acid - CAS 14375-45-2

Name: Abscisic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Description:	A plant hormone involved in many cellular processes such as stomatal closure, water and ion uptake control, leaf abscission and senescence.
Molecular Weight:	264.32
Molecular Formula:	C15H20O4
Canonical SMILES:	CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
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-
InChI Key:	JLIDBLDQVAYHNE-LXGGSRJLSA-N
Boiling Point:	458.7 °C at 760 mmHg
Melting Point:	186-188 °C(lit.)
Purity:	≥ 98 %
Density:	1.193 g/cm³
Appearance:	White powder
Storage:	Store at -20 °C
MDL:	MFCD00075619
LogP:	2.24990

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-109328531-A	Nystose is promoting Root Growth of Rice and is improving the application in the low temperature resistant stress ability of root system	20180927
WO-2019197580-A1	Abscisic acid for the treatment of skin diseases	20180412
EP-3773905-A1	Abscisic acid for the treatment of skin diseases	20180412
US-2021161842-A1	Abscisic acid for the treatment of skin diseases	20180412
JP-WO2018143140-A1	Fushikokushin compounds	20170131

PMID	Publication Date	Title	Journal
32020584	20200501	The IUPHAR Guide to Immunopharmacology: connecting immunology and pharmacology	Immunology
26488296	20150101	Abscisic Acid Stimulates Glucagon-Like Peptide-1 Secretion from L-Cells and Its Oral Administration Increases Plasma Glucagon-Like Peptide-1 Levels in Rats	PloS one
24891222	20140701	Acetylated 1,3-diaminopropane antagonizes abscisic acid-mediated stomatal closing in Arabidopsis	The Plant journal : for cell and molecular biology
24211328	20131115	Fluridone as a new anti-inflammatory drug	European journal of pharmacology
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology

Complexity:	494
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	264.13615911
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	264.13615911
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6