Anisatin - Moligand™,≥98% , CAS No.5230-87-5

CAS: 5230-87-5 Cat. No.: A649575 분자식: C₁₅H₂₀O₈ 분자량: 328.31 EC 번호: 683-130-6 PubChem CID: 115121

GRADE & PURITY Moligand™, ≥98%

Synonyms

Q2850134 | BDBM50476092 | SCHEMBL638960 | 4A.BETA.,5,6A,7,8,9-HEXAHYDRO-1.ALPHA.,5.BETA.,6A.BETA.,7.BETA.-TETRAHYDROXY-5,9.ALPHA.-DIMETHYLSPIRO(6H-4,9A-METHANOCYCLOPENT(D)OXOCIN-6,3'-OXETANE)-2,2'(1H)-DIONE | Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-o

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10 μM.

Specifications

동의어

Q2850134 | BDBM50476092 | SCHEMBL638960 | 4A.BETA.,5,6A,7,8,9-HEXAHYDRO-1.ALPHA.,5.BETA.,6A.BETA.,7.BETA.-TETRAHYDROXY-5,9.ALPHA.-DIMETHYLSPIRO(6H-4,9A-METHANOCYCLOPENT(D)OXOCIN-6,3'-OXETANE)-2,2'(1H)-DIONE | Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-o

사양 및 순도

Moligand™,≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

순수함

≥98%

이름과 식별자

• 정식 스마일: CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O
• IUPAC Name: (1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
• InChIKey: GEVWHIDSUOMVRI-QWNPAUMXSA-N
• INCHI: 1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1
• 이성체 SMILES: C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O
• 대체 CAS: 5230-87-5
• PubChem CID: 115121
• MeSH 용어: anisatin;anisatin, 1S-(1alpha,4beta,5beta,6beta,7beta,9alpha,9abeta)-isomer;shikimin
• 분자량: 328.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Sesquiterpenoids Delta valerolactones Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Beta propiolactones Secondary alcohols Oxetanes Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Terpene lactone - Sesquiterpenoid - Prezizaane sesquiterpenoid - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Tertiary alcohol - Beta_propiolactone - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxetane - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 328.310 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 328.116 Da
• Monoisotopic Mass: 328.116 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 621.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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