기본 정보
- CAS
58316-41-9- 표준 SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O- InChIKey
WRYJYFCCMSVEPQ-ORAXXRKOSA-N- 분자식
- C42H68O13
- 평균 분자량
- 781 g/mol
- 단동위원소 질량
- 780.46599222
개요
Saikosaponin b2 is a saikosaponin.
이름 및 식별자
- 우선 이름
- Saikosaponin B2
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- Saikosaponin B2
- 분자식
- C42H68O13
- 분자량
- 780.99
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
58316-41-9- PubChem CID
- 21637642
- DTXSID
DTXSID40670024- ChEMBL
CHEMBL3792981- ChEBI
CHEBI:183954- Nikkaji
- J246.209E
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 219 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,500
물리화학적 성질
- 녹는점
- 231 · 231-238°C
- 끓는 점
- 909.9 · 909.9±65.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Soluble in methanol;
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.83 · 12.83±0.70(Predicted)
- 색상
- 하얀색
- 수용성
- 물에 약간 용해됨
- InChIKey
- WRYJYFCCMSVEPQ-FMNASGNYNA-N
안전 및 규제
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
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