Saikosaponin B2 - 10mM in DMSO , CAS No.58316-41-9

CAS: 58316-41-9 Cat. No.: S424884 분자식: C₄₂H₆₈O₁₃ 분자량: 780.98 PubChem CID: 21637642

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS037514824 | (3b,4a,16a)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | WRYJYFCCMSVEPQ-ORAXXRKOSA-N | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Saikosaponin B2 Saikosaponin B2 is a naturally occurring terpenoid that efficiently inhibits hepatitis C virus entry.

Specifications

동의어

AKOS037514824 | (3b,4a,16a)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | WRYJYFCCMSVEPQ-ORAXXRKOSA-N | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Saikosaponin B2 is a naturally occurring terpenoid that efficiently inhibits hepatitis C virus entry.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528772196
• 정식 스마일: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
• IUPAC Name: (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
• InChIKey: WRYJYFCCMSVEPQ-ORAXXRKOSA-N
• INCHI: 1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1
• 이성체 SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@@H](C[C@]54C)O)CO)(C)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
• PubChem CID: 21637642
• 분자량: 780.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Steroids and steroid derivatives O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

MCF7 (126967 Activities)

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MRC5 (9203 Activities)

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SH-SY5Y (11521 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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Bcap37 (715 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 781.000 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 780.466 Da
• Monoisotopic Mass: 780.466 Da
• Topological Polar Surface Area: 219.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1500.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Fuyun Chi, Wenshuang Wang, Shanshan Zhai, Man Zhang, Yuanyuan Hou, Gang Bai.  (2025)  Self-assembled baicalein-2,4-decadienal nanomedicine synergistically inhibits PGE2 expression and elicits anti-inflammatory responses.  Chinese Herbal Medicines,      [PMID:] [10.1016/j.chmed.2025.10.001]