[S-(Z,E)]-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-diensure

Abscisic Acid

HCID 5280896CAS 21293-29-8

Grundinformationen

Standard-SMILES
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O
InChIKey
JLIDBLDQVAYHNE-YKALOCIXSA-N
Summenformel
C15H20O4
Durchschnittliche Molmasse
264,32 g/mol
Monoisotopische Masse
264,13615912

Überblick

(+)-abscisic acid is the naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. It has a role as a plant hormone and a plant metabolite. It is a conjugate acid of a (+)-abscisate. It is an enantiomer of a (-)-abscisic acid.

Namen und Bezeichner

Bevorzugter Name
Abscisic Acid
IUPAC
(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Lokaler Name
[S-(Z,E)]-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-diensure
Englischer Name
(+)-Abscisic acid
Summenformel
C15H20O4
Molmasse
264.32

Namen und Synonyme

21293-29-8ABSCISIC ACIDAbscisin IIDormin72S9A8J5GWNSC-146877NSC-148832AbscissinsAbscissic Acid2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-RefChem:914905(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
Weitere Namen anzeigen
S-ABAABK(S)-(+)-ABSCISIC ACID(+)-ABA(+)-abscisinii4-Bromo-5-chloroquinolineABA, ABKABSCISIN
(+-)-(CIS,TRANS)-ABSCISIC ACID244-319-5(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid(+)-Abscisic acid(+)-cis,trans-Abscisic Acid(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acidMFCD00066545ABA

Datenbank-Bezeichner

CAS
21293-29-8
PubChem CID
5280896
DTXSID
DTXSID0036766
ChEMBL
CHEMBL288040、CHEMBL379808
ChEBI
CHEBI:2365
UNII
72S9A8J5GW
EC Number
244-319-5
Nikkaji
J9.144H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 2 Einträge

174.4 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

173.8 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
188 °C · 188 °C
Siedepunkt
327.55 °C · 327.55°C (rough estimate)
Dichte
1.0583 · 1.0583 (rough estimate)
Brechungsindex
410 ° · 410 ° (C=0.2, EtOH)
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Slightly), Ethanol (Sparingly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 1.4% (2 of 140) of reports.

Warning

H400 (97.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Commission Regulation (EU) No 188/2011

Abscisic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 Einträge

Aquatic Acute 1 (97.9%)

Aquatic Acute 1

Sicherheitsdaten

F
8
wgk
3
hs_code
29189900
RTECS-Nr.
RZ2475100
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 6 Einträge

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

Drugs used to prevent NAUSEA or VOMITING.

Drugs used to induce SLEEP, prevent SLEEPLESSNESS, or treat SLEEP INITIATION AND MAINTENANCE DISORDERS.

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins.

Anwendungen · 1 Eintrag

Verwenden(+)-Abscisic acid is the natural isomer of the abscission-accelerating plant hormone and a plant growth regulator that exhibits multiple physiological effects, including inducing plant dormancy, inhibiting seed germination and plant growth, and stimulating stomatal closure.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北常奥药业有限公司027-87058617 13419515565

Ergänzende Hinweise

DefinitionChEBI: The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.

Zugehörige Reaktionen

2

Verknüpfte Notizen

Wird geladen…