2',6'-Dihydroxy-4'-methoxydihydrochalcone

HCID 169676CAS 35241-55-5

기본 정보

표준 SMILES: COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1
InChIKey: MDMCODCJMHTFIZ-UHFFFAOYSA-N
분자식: C16H16O4
평균 분자량: 272.29 g/mol
단동위원소 질량: 272.10485899

개요

2',6'-dihydroxy-4'-methoxydihydrochalcone is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively. It has a role as a radical scavenger and an antiplasmodial drug. It is a monomethoxybenzene, a polyphenol and a member of dihydrochalcones. It is functionally related to a dihydrochalcone.

이름 및 식별자

우선 이름: 2',6'-Dihydroxy-4'-methoxydihydrochalcone
IUPAC: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
영어명: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
분자식: C16H16O4
분자량: 272.3

이름 및 동의어

35241-55-51-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one2',6'-Dihydroxy-4'-methoxydihydrochalconeEEW35E6HOLCHEBI:28523DTXSID80188734RefChem:80163DTXCID401112252',6'-dihydroxy-4'-methoxydihydro-chalcone252-459-32',6'-Dihydroxy 4'-methoxydihydrochalcone1-(2,6-Dihydroxy-4-methoxy-phenyl)-3-phenyl-propan-1-one

이름 더 보기

Dihydroxy 4-methoxydihydrochalcone2`,6`-Dihydroxy 4`-methoxydihydrochalcone-RM2',6'-Dihydroxy 4'-methoxydihydrochalcone (Standard)1-Propanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-

1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanoneCHEMBL486009EINECS 252-459-3UNII-EEW35E6HOLorb1683789orb3139124SCHEMBL4742840MDMCODCJMHTFIZ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 35241-55-5
PubChem CID: 169676
DTXSID: DTXSID80188734
ChEMBL: CHEMBL486009
ChEBI: CHEBI:28523
UNII: EEW35E6HOL
EC Number: 252-459-3
Nikkaji: J289.946I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 300

실험 및 물리화학적 성질

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

Melting Point174 - 175 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 172 · 172-175 °C(Solv: benzene (71-43-2))
끓는 점: 488.5 · 488.5±45.0 °C(Predicted)
밀도: 1.243 · 1.243±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7 · 7.00±0.40(Predicted)
주요 응용: 음식 및 음료
InChI: 1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3
InChIKey: MDMCODCJMHTFIZ-UHFFFAOYSA-N
SMILES: O(C)c1cc(c(c(c1)O)C(=O)CCc2ccccc2)O

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

공급사15 곳

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]

成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]

추가 설명

정의ChEBI: A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively.

연결된 노트

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