(+)-Lariciresinol

HCID 332427CAS 27003-73-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O
InChIKey
MHXCIKYXNYCMHY-AUSJPIAWSA-N
분자식
C20H24O6
평균 분자량
360.4 g/mol
단동위원소 질량
360.15728849

개요

(+)-lariciresinol is a lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). It has a role as an antifungal agent and a plant metabolite. It is a primary alcohol, a lignan, a member of oxolanes, a member of phenols and an aromatic ether. It is an enantiomer of a (-)-lariciresinol.

이름 및 식별자

우선 이름
(+)-Lariciresinol
IUPAC
4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
영어명
(+)-LARICIRESINOL
분자식
C20H24O6
분자량
360.4

이름 및 동의어

Lariciresinol(+)-Lariciresinol27003-73-2NSC-32924773XCE5OZB04-((2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenolCHEBI:67246DTXSID303183623-Furanmethanol, tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-vanillyl-3-Furanmethanol, tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (2S,3R,4R)-4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenollarici-resinol
이름 더 보기
LariciresilLarch resinolLariciresinol, 10 mM in DMSOinhibit,Inhibitor,Lariciresinol(2S)-2α-(3-Methoxy-4-hydroxyphenyl)-4β-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran-3β-methanol2α-(4-Hydroxy-3-methoxyphenyl)-3β-(hydroxymethyl)-4β-(4-hydroxy-3-methoxybenzyl)tetrahydrofuran
RefChem:40974DTXCID70269485CHEMBL518421NSC3292474-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenolLaricericinolLariciresinol, (+)-3-Furanmethanol,tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4R)-

데이터베이스 식별자

CAS
27003-73-2
PubChem CID
332427
DTXSID
DTXSID30318362
ChEMBL
CHEMBL518421
ChEBI
CHEBI:67246
UNII
73XCE5OZB0
EC Number
694-741-2
Nikkaji
J17.258H

물성

구조 계산 물성

XLogP
2.4
극성 표면적
88.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
26

물리화학적 성질

녹는점
167 · 167-168 °C
끓는 점
568.4 · 568.4±50.0 °C(Predicted)
밀도
1.261 · 1.261±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태
가루

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (100%)

안전 데이터

wgk
3
ridadr
UN 3077 9 / PGIII
risk_code
50
hazard_code
N
safety_code
61
Hazard Classifications
Aquatic Acute 1

화학 및 산업

응용 분야

용도(+)-Lariciresinol is used in biological studies as an anti-tumor-initiating effects of phenolic compounds isolated from the bark of Picea jezoensis var. jezoensis to evaluate the pharmacological activity.

공급사50 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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