3-데옥시사판찰콘

4,4'-Dihydroxy-2'-methoxychalcone

HCID 5319688

기본 정보

CAS: 112408-67-0
표준 SMILES: COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1
InChIKey: PACBGANPVNHGNP-RUDMXATFSA-N
분자식: C16H14O4
평균 분자량: 270.28 g/mol

개요

2'-O-methylisoliquiritigenin is a member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group. It has a role as a metabolite. It is a member of chalcones, a monomethoxybenzene and a member of phenols. It is functionally related to an isoliquiritigenin.

이름 및 식별자

우선 이름: 4,4'-Dihydroxy-2'-methoxychalcone
IUPAC: (E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
현지명: 3-데옥시사판찰콘
영어명: 3-deoxysappanchalcone
분자식: C16H14O4
분자량: 270.28

이름 및 동의어

3-Deoxysappanchalcone2'-O-Methylisoliquiritigenin112408-67-04,4'-dihydroxy-2'-methoxychalconeLHE9JFQ1U82'-Methoxyisoliquiritigenin(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneCHEBI:519567(2E)-1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one2-Propen-1-one, 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-RefChem:91182351828-10-5

이름 더 보기

3-데옥시사판찰콘2-Propen-1-one, 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-,(2E)-

Isoliquiritigenin 2'-methy etherCHEMBL253777(2E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one(E)-1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneMFCD00800700UNII-LHE9JFQ1U82'--ethylisoliquiritigein3''''-Deoxy-Sappanchalcone

데이터베이스 식별자

CAS: 112408-67-0
PubChem CID: 5319688
ChEMBL: CHEMBL253777
ChEBI: CHEBI:519567
UNII: LHE9JFQ1U8
Nikkaji: J2.786.905J、J641.664K

물성

구조 계산 물성

XLogP: 3
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 344

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Melting Point210 - 212 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 210 · 210-212 °C
끓는 점: 527.1 · 527.1±50.0 °C(Predicted)
밀도: 1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
물리적 상태: Solid
산도 계수 (pKa): 7.55 · 7.55±0.20(Predicted)
색상: Light yellow to yellow

화학 및 산업

약리 정보

Cellular LocationsMembrane

공급사54 곳

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