기본 정보
- CAS
25166-14-7- 표준 SMILES
COc1cc([C@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O- InChIKey
BVKQRAYKLBRNIK-HYBUGGRVSA-N- 분자식
- C25H20O10
- 평균 분자량
- 480.4 g/mol
- 단동위원소 질량
- 480.10564683
개요
2,3-Dehydrosilybin has been reported in Silybum marianum with data available.
이름 및 식별자
- 우선 이름
- Dehydrosilybin
- IUPAC
- 3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
- 영어명
- 2,3-Dehydrosilybin A
- 분자식
- C25H20O10
- 분자량
- 480.42
이름 및 동의어
25166-14-7YT9LPK42UUDehydrosilybinDTXSID60858706RefChem:585663DTXCID708094463,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one2,3-Dehydrosilybin3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one2,3-Dehydrosilybin A2,3-Dehydrosilybin A3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-chromen-4-one
이름 더 보기
Dehydrosilybin A2,3-Dehydrosilybin A-RM2,3-Dehydrosilybin A (Standard)4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-
CHEMBL315670orb1991552orb3139118HY-N12360AKOS040735208CS-0898993T1252022-((2R,3R)-2-(Hydroxymethyl)-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5,7-tris(oxidanyl)chromen-4-one
물성
구조 계산 물성
- XLogP
- 3.1
- 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
- 816
물리화학적 성질
- 주요 응용
- 음식 및 음료
- InChIKey
- VZKSREXUUQNNGD-XPTUZCQZSA-N
- SMILES
- O1[C@@H]([C@H](Oc3c1ccc(c3)C4Oc5c(c(cc(c5)O)O)C(=O)C4=O)c2cc(c(cc2)O)OC)CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
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.
상·하류 제품 정보
상류 원료
공급사15 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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