Pachypodol

HCID 5281677CAS 33708-72-4

기본 정보

표준 SMILES: COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1
InChIKey: KQFUXLQBMQGNRT-UHFFFAOYSA-N
분자식: C18H16O7
평균 분자량: 344.3 g/mol
단동위원소 질량: 344.08960285

개요

Pachypodol is a trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. It has a role as an antiemetic and a plant metabolite. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a quercetin.

이름 및 식별자

우선 이름: Pachypodol
IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
영어명: pachypodol
분자식: C18H16O7
분자량: 344.32

이름 및 동의어

Pachypodol33708-72-44',5-Dihydroxy-3,3',7-trimethoxyflavoneQuercetin 3,7,3'-trimethyl ether5,4'-dihydroxy-3,7,3'-trimethoxyflavoneRo 09-0179Ro-09-01798AG6B2DMP5NSC-1688053,7,3'-Quercetol trimethyl ether-5,4'-dihydroxy-Ro-0901795-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one

이름 더 보기

Ro-9-0179Pachypodol-RMAgastache Flavonol3,3',7-Tri-O-methylquercetin5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-CHEBI:70007DTXSID80187388Ro 090179RefChem:169456DTXCID901098795-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-oneQuercetin 3,3',7-trimethyl ether

데이터베이스 식별자

CAS: 33708-72-4
PubChem CID: 5281677
DTXSID: DTXSID80187388
ChEMBL: CHEMBL165180
ChEBI: CHEBI:70007
UNII: 8AG6B2DMP5
Nikkaji: J23.593H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 94.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 532

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

물리화학적 성질

녹는점: 171 · 171-172 °C
끓는 점: 598.8 · 598.8±50.0 °C(Predicted)
밀도: 1.45 · 1.45±0.1 g/cm3(Predicted)
산도 계수 (pKa): 6.14 · 6.14±0.40(Predicted)
물리적 상태: Solid
색상: White to yellow
주요 응용: 음식 및 음료
InChI: 1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3
InChIKey: KQFUXLQBMQGNRT-UHFFFAOYSA-N
SMILES: [o]1c2c([c](c(c1c3cc(c(cc3)O)OC)OC)=O)c(cc(c2)OC)O

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one

공급사50 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

연결된 노트

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