Acerogenin G - ≥95%(LC/MS-ELSD) , CAS No.130233-83-9

CAS: 130233-83-9 Cat. No.: A463784 Formula: C₁₉H₂₂O₃ Molecular Weight: 298.38 EC Number: 802-679-6

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

1,7-bis-(4-hydroxyphenyl)-3-heptanone | 1,7-bis(4-hydroxyphenyl)-3-heptanone | Q27139031 | Acerogenin G | 1,7-bis(4-hydroxyphenyl)heptan-3-one | Acerogenin G, >=95% (LC/MS-ELSD) | NCGC00169598-01 | CHEBI:70700 | AcerogeninG | AKOS040761305 | BRD-K55160318

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Natural product derived from plant source.}

Specifications

Synonyms

1,7-bis-(4-hydroxyphenyl)-3-heptanone | 1,7-bis(4-hydroxyphenyl)-3-heptanone | Q27139031 | Acerogenin G | 1,7-bis(4-hydroxyphenyl)heptan-3-one | Acerogenin G, >=95% (LC/MS-ELSD) | NCGC00169598-01 | CHEBI:70700 | AcerogeninG | AKOS040761305 | BRD-K55160318

Specifications & Purity

≥95%(LC/MS-ELSD)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(LC/MS-ELSD)

Names and Identifiers

Canonical Smiles

C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O

IUPAC Name

1,7-bis(4-hydroxyphenyl)heptan-3-one

InChIKey

QUHYUSAHBDACNG-UHFFFAOYSA-N

INCHI

1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O

UN Number

3077

Molecular Weight

298.38

Reaxy-Rn

4195253

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4195253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• External Descriptors: phenols - ketone - diarylheptanoid

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

Associated Targets(non-human)

RAW264.7 (28094 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 298.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 298.157 Da
• Monoisotopic Mass: 298.157 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 313.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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