12-Oxo-phytodienoic acid

HCID 5280411CAS 85551-10-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O
InChIKey
PMTMAFAPLCGXGK-JMTMCXQRSA-N
분자식
C18H28O3
평균 분자량
292.4 g/mol
단동위원소 질량
292.20384476

개요

(15Z)-12-oxophyto-10,15-dienoic acid is an oxo carboxylic acid, a carbocyclic fatty acid and an olefinic fatty acid. It is a conjugate acid of a (15Z)-12-oxophyto-10,15-dienoate.

이름 및 식별자

우선 이름
12-Oxo-phytodienoic acid
IUPAC
8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
영어명
8-[(3S,4S)-4α-[(Z)-2-Pentenyl]-5-oxo-1-cyclopentene-3α-yl]octanoic acid
분자식
C18H28O3
분자량
292.41

이름 및 동의어

12-Oxo-phytodienoic acid85551-10-68-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acidDTXSID60437058-((1S,5S)-4-oxo-5-((Z)-pent-2-enyl)cyclopent-2-en-1-yl)octanoic acidRefChem:1057435DTXCID402370512-Oxo phytodienoic acid12-Oxo-pdarac 12-Oxophytodienoic Acid12-OPDA(15Z)-12-Oxophyto-10,15-dienoic acid
이름 더 보기
Cmc_7397Cmc_13962(9S,13S,15Z)-12-Oxo-10,15-phytodienoic acidcis-(+)-12-Oxo-phytodienoic acid,100ug in 100ul EtOH4-oxo-5α-2Z-pentenyl)-2-cyclopentene-1α-octanoic acid8-[(1S,5S)-5-[(Z)-2-Pentenyl]-4-oxo-2-cyclopentenyl]octanoic acid8-[(1S,5S)-4-Oxo-5-[(Z)-2-pentenyl]-2-cyclopentenyl]octanoic acid
(9S,13S)-12-oxo-phytodienoic acid(1S,5S)-4-Oxo-5-(2Z)-2-penten-1-yl-2-cyclopentene-1-octanoic acid12-Oxo-10,15(Z)-phytodienoic acid8-((1S,5S)-4-oxo-5-((Z)-pent-2-en-1-yl)cyclopent-2-en-1-yl)octanoic acid(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanoic acid67204-66-48-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acido-Phytodienoic acid

데이터베이스 식별자

CAS
85551-10-6
PubChem CID
5280411
DTXSID
DTXSID6043705
ChEMBL
CHEMBL5641694
ChEBI
CHEBI:15560
Nikkaji
J264.010D

물성

구조 계산 물성

XLogP
4.7
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
11
무거운 원자 수
21

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> 12-oxophytodienoic acid metabolites [FA0201]
Collision Cross Section179.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

물리화학적 성질

끓는 점
447.7 · 447.7±24.0 °C(Predicted)
밀도
1.006 · 1.006±0.06 g/cm3(Predicted)
저장 조건
-80 °C, · Store at -80°C, protect from light
용해도
25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; Ethanol: 100 mg/ml; PBS pH 7.2: 2 mg/ml
물리적 상태
Liquid
산도 계수 (pKa)
4.78 · 4.78±0.10(Predicted)

안전 및 규제

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

화학 및 산업

응용 분야 · 1건

개요12-oxo Phytodienoic acid (OPDA) is a biologically active, immediate precursor of 7-epi jasmonic acid. In addition to its link with jasmonic acid activity, OPDA appears to play an independent role in mediating resistance to pathogens and pests. As an endogenous signal transducer, OPDA has been shown to increase alkaloid biosynthesis in E. californica cell cultures, increase tendril coiling of B. dioica, and suppress jasmonic acid-induced programmed cell death in a conditional A. flu mutant.

공급사28 곳

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

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