(2Z)-2-[4-(dimethylamino)benzylidene]-6-hydroxy-1-benzofuran-3(2H)-one , CAS No.1613190-07-0

CAS: 1613190-07-0 Cat. No.: Z668643 Molecular Weight: 281.3 PubChem CID: 1523065

COA

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(2Z)-2-[4-(dimethylamino)benzylidene]-6-hydroxy-1-benzofuran-3(2H)-one - CAS No(1613190-07-0) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

(2Z)-2-[4-(dimethylamino)benzylidene]-6-hydroxy-1-benzofuran-3(2H)-one | (Z)-2-(4-(dimethylamino)benzylidene)-6-hydroxybenzofuran-3(2H)-one | NSC657011 | (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6-hydroxy-1-benzofuran-3-one | (2Z)-2-{[4-(dimethylamin

Storage

Room temperature

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Storage

Room temperature

Product Properties

ALogP	3.4

Names and Identifiers

Canonical Smiles	CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O
IUPAC Name	(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
InChIKey	XWVDODMZYGXNEU-SXGWCWSVSA-N
INCHI	1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9-
Isomeric SMILES	CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O
PubChem CID	1523065
Molecular Weight	281.3

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Aurone flavonoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Aurone flavonoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Aurone flavonoids
Alternative Parents	Coumarans Benzofurans Dialkylarylamines Aryl ketones Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aurone - Benzofuran - Coumaran - Tertiary aliphatic/aromatic amine - Aryl ketone - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ketone - Tertiary amine - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus).
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Amine oxidase [flavin-containing] A (1 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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

ACHN (49357 Activities)

Molecular Weight	281.300 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	281.105 Da
Monoisotopic Mass	281.105 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	424.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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