2',6'-Dihydroxy-4'-methoxychalcone

HCID 5316793CAS 18956-15-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O)c1
InChIKey: CUGDOWNTXKLQMD-BQYQJAHWSA-N
분자식: C16H14O4
평균 분자량: 270.28 g/mol
단동위원소 질량: 270.08920893

개요

Pinostrobin chalcone is a member of chalcones.

이름 및 식별자

우선 이름: 2',6'-Dihydroxy-4'-methoxychalcone
IUPAC: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
영어명: 2',6'-Dihydroxy-4'-methoxychalcone
분자식: C16H14O4
분자량: 270.28

이름 및 동의어

2',6'-Dihydroxy-4'-methoxychalconeRefChem:908392278-629-7Pinostrobin chalcone18956-15-51-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one77129-49-8(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-oneCHEMBL317221(2E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, (2E)-Pistrobin chalcone

이름 더 보기

plnostrobin chalcone2-Propen-1-one,1-(2,6-dihyDihydroxy 4`-methoxychalconePinostrobin chalcone, 10 mM in DMSO2`,6`-Dihydroxy 4`-methoxychalcone-RM(E)-2',6'-Dihydroxy-4'-methoxychalcone

EINECS 278-629-7MFCD00017363Chalcone, 2',6'-dihydroxy-4'-methoxy-DIHYDROXY-4'-METHOXYCHALCONE, 2',6'-orb1684310orb3139116SCHEMBL3483741Pinostrobin chalcone (Standard)

데이터베이스 식별자

CAS: 18956-15-5、77129-49-8
PubChem CID: 5316793
DTXSID: DTXSID50940467
ChEMBL: CHEMBL317221
ChEBI: CHEBI:174555
EC Number: 278-629-7
Nikkaji: J107.394J、J309.361A

물성

구조 계산 물성

XLogP: 3.5
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: 334

실험 및 물리화학적 성질

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

Melting Point163.5 - 164.5 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 145 °C · 145°C
끓는 점: 521.1 · 521.1±50.0 °C(Predicted)
밀도: 1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 10 mg/mlEthanol: · DMSO: Soluble: =10 mg/mlEthanol: Soluble: =10 mg/ml
물리적 상태: Solid
산도 계수 (pKa): 6.7 · 6.70±0.40(Predicted)
색상: Light yellow to orange
InChI: 1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+
InChIKey: CUGDOWNTXKLQMD-BQYQJAHWSA-N
SMILES: O(C)c1cc(c(c(c1)O)C(=O)\C=C\c2ccccc2)O

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도Pinostrobin Chalcone is an estrogenic compound from the plant leaves of Carya cathayensis Sarg.

공급사50 곳

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