Harpagoside - Analytical standard, Moligand™, ≥98% , CAS No.19210-12-9

CAS: 19210-12-9 Cat. No.: H115697 분자식: C₂₄H₃₀O₁₁ 분자량: 494.49 EC 번호: 242-881-6 PubChem CID: 5281542

등급 & 순도 Analytical standard, Moligand™, ≥98%

Synonyms

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Application： 

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

사양

동의어

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

사양 및 순도

Analytical standard, Moligand™, ≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™, 분석 표준물질

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528770895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770895

정식 스마일

CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4

IUPAC Name

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate

InChIKey

KVRQGMOSZKPBNS-FMHLWDFHSA-N

INCHI

1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

이성체 SMILES

C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4

WGK 독일

3

PubChem CID

5281542

분자량

494.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Iridoid O-glycosides
• Alternative Parents: Cinnamic acid esters Hexoses O-glycosyl compounds Aromatic monoterpenoids Bicyclic monoterpenoids Iridoids and derivatives Styrenes Fatty acid esters Oxanes Enoate esters Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Iridoid o-glycoside - Cinnamic acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Styrene - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Primary alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.
• External Descriptors: Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids

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)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HUVEC (11049 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTNNB1 Tchem Catenin beta-1 (517 Activities)

Discover Target: CTNNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TNFSF11 Tclin Tumor necrosis factor ligand superfamily member 11 (138 Activities)

Discover Target: TNFSF11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Sus scrofa (849 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAW264.7 (28094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Syk Syk protein (40 Activities)

Discover Target: Syk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plcg2 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (3 Activities)

Discover Target: Plcg2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive;Heat sensitive
• 분자량: 494.500 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 494.179 Da
• Monoisotopic Mass: 494.179 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 811.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1