기본 정보
- CAS
10083-24-6- 표준 SMILES
Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1- InChIKey
CDRPUGZCRXZLFL-OWOJBTEDSA-N- 분자식
- C14H12O4
- 평균 분자량
- 244.24 g/mol
- 단동위원소 질량
- 244.07355886
개요
Piceatannol is a stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. It has a role as a geroprotector, a hypoglycemic agent, an antineoplastic agent, a protein kinase inhibitor, a tyrosine kinase inhibitor, an apoptosis inducer and a plant metabolite. It is a polyphenol, a member of catechols, a member of resorcinols and a stilbenol. It derives from a hydride of a trans-stilbene.
이름 및 식별자
- 우선 이름
- Piceatannol
- IUPAC
- 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
- 영어명
- PICEATANNOL
- 분자식
- C14H12O4
- 분자량
- 244.24
이름 및 동의어
piceatannol10083-24-6trans-Piceatannol3-Hydroxyresveratol(E)-PiceatannolAstringenin3,3',4'5-Tetrahydroxystilbene4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol3,4,3',5'-tetrahydroxy-trans-stilbene4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol3,3',4,5'-Tetrahydroxy-trans-stilbene6KS3LS0D4F
이름 더 보기
PiceatanlBeryl alcohol20MG/50MG/100GPiceatannol>
NSC-365798NSC-622471DB08399trans-3,3',4,5'-TetrahydroxystilbeneJ61.264BCHEBI:28814C059013,3',4,5'-STILBENETETROL, (E)-
데이터베이스 식별자
- CAS
10083-24-6、4339-71-3- PubChem CID
- 667639
- DTXSID
DTXSID6040587- ChEMBL
CHEMBL69863- ChEBI
CHEBI:28814- UNII
- 6KS3LS0D4F
- EC Number
- 600-132-4
- Nikkaji
- J393.773I、J61.264B
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 80.9 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 282
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
LogP2.11
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 223 · 223.0-227.0 °C
- 끓는 점
- 108 °C/0.04mmHg · 108°C/0.04mmHg(lit.)
- 밀도
- 1.1245 · 1.1245 (rough estimate)
- 굴절률
- 1.519 · 1.5190 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 0.5 mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.17 · 9.17±0.10(Predicted)
- 색상
- 연한 황갈색에서 노란색까지
- 수용성
- 2 O: · H2O: 0.5mg/mLDMSO: 10mg/mLethanol: 10mg/mL
- 안정성
- 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°에서 최대 2개월 동안 보관할 수 있습니다.
- 주요 응용
- 음식 및 음료
- 화장품 원료 기능
- 항산화제
- InChI
- InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
- InChIKey
- CDRPUGZCRXZLFL-OWOJBTEDSA-N
- SMILES
- C1(O)=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1O
- LogP
- 2.69 · 2.690 (est)
화학적 성질
yellow to golden or green crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 29072990
- safety_code
- 24/25
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsMembrane
응용 분야
용도A human metabolite of Resveratrol (R150000). Piceatannol is strong anti-oxidant.
일반 설명A cell-permeable, substrate competitive and reversible plant metabolite that inhibits the activity of rat liver protein kinase A catalytic subunit (IC50 = 3 μM), PKC (IC50 = 8 μM), MLCK (IC50 = 12 μM). In RBL-2H3 cells, the selective inhibition of Syk by piceatannol results in inhibition of FceR1-mediated signaling. Also inhibits wheat embryo Ca2+-dependent protein kinase (CDPK) (IC50 = 19 μM), and p72syk (IC50 = 10 μM), a non-receptor tyrosine kinase, relative to Lyn in isolated enzyme preparations. Also possesses anti-leukemic properties. Reported to activate sirtuins and promote the survival of eukaryotic cells.
상·하류 제품 정보
상류 원료
공급사100 곳
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추가 설명
정의ChEBI: A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
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