N-Caffeoyltyramine

HCID 9994897CAS 103188-48-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(O)cc1
InChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-N
분자식: C17H17NO4
평균 분자량: 299.32 g/mol

개요

N-cis-Caffeoyltyramine is a member of catechols.

이름 및 식별자

우선 이름: N-Caffeoyltyramine
IUPAC: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
영어명: N-trans-caffeoyltyramine
분자식: C17H17NO4
분자량: 299.32

이름 및 동의어

n-trans-caffeoyltyraminen-caffeoyltyramine103188-48-3Trans-N-CaffeoyltyramineTypheramide3LZ974DQ9JN-(E)-Caffeoyl-lambda-tyramine(E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide(2E)-3-(3,4-Dihydroxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-2-propenamide(E)-3-(3,4-dihydroxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)prop-2-enamideRefChem:43029N-cis-Caffeoyltyramine

이름 더 보기

N-trans-caffeoyltyramine, 10 mM in DMSON-trans-caffeoyltyramine >=85% (LC/MS-ELSD)2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-, (2E)-

(E)-3-(3,4-Dihydroxyphenyl)-N-(4-hydroxyphenethyl)acrylamide(2e)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-Hydroxyphenyl)ethyl]acrylamide(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamideUNII-3LZ974DQ9JMFCD248493562ew6N-trans caffeoyltyramineN-trans-caffeoyl tyramine

데이터베이스 식별자

CAS: 103188-48-3、219773-48-5
PubChem CID: 9994897
ChEMBL: CHEMBL206646
ChEBI: CHEBI:193479
UNII: 3LZ974DQ9J
EC Number: 802-512-7
Nikkaji: J2.700.056H、J466.386A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 89.8 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 377

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 215 · 215-217 °C
끓는 점: 639.9 · 639.9±55.0 °C(Predicted)
밀도: 1.328 · 1.328±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO: Soluble
물리적 상태: Solid
산도 계수 (pKa): 9.38 · 9.38±0.10(Predicted)
색상: White to off-white
주요 응용: 대사체학비타민, 기능성 식품 및 천연 제품
화장품 원료 기능: 피부의 멜라닌 생성을 줄입니다항산화제피부 보호
InChI: 1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
InChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-N
SMILES: Oc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term 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 Chronic 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 50
hazard_code: N
safety_code: 61
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도N-trans-caffeoyltyramine can be isolated from the seeds of Annona crassiflora Mart.

공급사49 곳

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

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