기본 정보
- CAS
22888-70-6- 표준 SMILES
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O- InChIKey
SEBFKMXJBCUCAI-UHFFFAOYSA-N- 분자식
- C25H22O10
- 평균 분자량
- 482.4 g/mol
- 단동위원소 질량
- 482.12129689
개요
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one is a flavonolignan.
이름 및 식별자
- 우선 이름
- Silymarin
- IUPAC
- 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
- 현지명
- 흰무늬엉겅퀴추출물
- 영어명
- Milk Thistle Extract
- 분자식
- C25H22O10
- 분자량
- 482.43618
이름 및 동의어
SILYMARIN65666-07-1Silimarin3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-oneRefChem:931755DTXSID5023580613-830-9Silybin84604-20-6Flavobin Spofa(2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
이름 더 보기
흰무늬엉겅퀴추출물Silybum marianum, ext.Unii-822I9lej7sEinecs 283-298-7Silymarin 80% UVFly thistle extractMilk Thistle Extractmilk thistle extractSilymarin, SilymarineLady'S thistle extractExtract of lady'S thistle
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-oneSilymarin (>80%)Silibin142796-20-13,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one4H-1-Benzopyran-4-one,2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 750
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
CosmeticsSkin conditioning
LogP2.07
Melting Point167 °C
Physical DescriptionSolid
물리화학적 성질
- 밀도
- 1.144 · 1.144
- 증기압
- 0.004 Pa · 0.004Pa at 20℃
- Henry's Law Constant
- 6.2 · 6.2×1017 mol/(m3Pa) at 25℃, HSDB (2015)
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제피부 보호피부 컨디셔닝
- InChIKey
- SEBFKMXJBCUCAI-REIQKMFONA-N
- SMILES
- [C@@H]1(C2=CC=C3O[C@@H](CO)[C@@H](C4=CC=C(O)C(OC)=C4)OC3=C2)OC2=C(C(O)=CC(O)=C2)C(=O)C1O |&1:0,6,9,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H361 (98.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Silymarin
Chemical: Silybum marianum extract
Silymarin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - Silybum marianum extract: Environment tier I assessment
Hazard Classes and CategoriesRepr. 2 (98.2%)
안전 데이터
- HS 번호
- 2932996560
- 유해 물질 데이터
- 84604-20-6(Hazardous Substances Data)
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Synthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
Cellular LocationsCytoplasm
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >2500
Use ClassificationCosmetics -> Skin conditioning
상·하류 제품 정보
상류 원료
하류 제품
공급사70 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…