압시스 산

Abscisic Acid

HCID 5280896CAS 21293-29-8

기본 정보

표준 SMILES
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O
InChIKey
JLIDBLDQVAYHNE-YKALOCIXSA-N
분자식
C15H20O4
평균 분자량
264.32 g/mol
단동위원소 질량
264.13615912

개요

(+)-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.

이름 및 식별자

우선 이름
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
현지명
압시스 산
영어명
(+)-Abscisic acid
분자식
C15H20O4
분자량
264.32

이름 및 동의어

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
이름 더 보기
압시스산압시스산(ABSCISICACID)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.6
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
19

실험 및 물리화학적 성질

Collision Cross Section · 2건

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

173.8 Ų [M-H]-

물리화학적 성질

녹는점
188 °C · 188 °C
끓는 점
327.55 °C · 327.55°C (rough estimate)
밀도
1.0583 · 1.0583 (rough estimate)
굴절률
410 ° · 410 ° (C=0.2, EtOH)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 에탄올(적당), 메탄올(약간 용해됨)
화학적 성질 · 1건

(+)-Abscisic acid (pure substance) is a colorless crystalline solid. It has a melting point of 160–161°C and sublimes at 120°C. The partition coefficients are 1.8 for the electrically neutral form and 0.94 for the ionic form. Its relative density is 1.21. The solubility in water is 3102 mg/L (at pH 4). The specific rotation is [α]²⁰D = +40.997° (c = 10.1 mg/mL in ethanol, at 20°C). The pKa is 4.61. It is soluble in chloroform, acetone, ethyl acetate, and diethyl ether but only sparingly soluble in benzene and water. The UV maximum absorption wavelength (in methanol) is 252 nm.

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 2건

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 · 2건

Aquatic Acute 1 (97.9%)

Aquatic Acute 1

안전 데이터

wgk
3
rtecs
RZ2475100
HS 번호
29189900
safety_code
22-24/25
기존화학 물질
KE-20917
F 고인화성물질
8

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 6건

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.

응용 분야 · 1건

용도(+)-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.

공급사50 곳

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

추가 설명

정의ChEBI: 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.

관련 반응

2건

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