4-Hydroxycanthin-6-one

CAT: 0931-TN11120-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN11120-01Size:10 mg

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CAS Number

106941-27-9

Target

Others

Related Pathways

Others

Bioactivity

4-Hydroxycanthin-6-one is a novel quinoline alkaloid isolated from the stem bark of Ailanthus altissima. Additionally, five other known compounds were identified. The structure of the new compound was established through analysis of physical and spectral data, and its absolute configuration was determined using electronic circular dichroism and quantum chemical calculations. These compounds exhibit significant inhibitory activity on lipopolysaccharide (LPS) -induced nitric oxide (NO) production in RAW 264.7 cells, indicating potential anti-inflammatory properties.

Smiles

O=C1C=C(O)C2=NC=CC=3C4=CC=CC=C4N1C23

Molecular Formula

C14H8N2O2

Molecular Weight

236.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Hydroxycanthin-6-one

4-Hydroxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound.

CAS Number	106941-27-9
PubChem CID	155859114
IUPAC Name	4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular Formula	C14H8N2O2
Molecular Weight	236.22
XLogP	1.8
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	420

SMILES

C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)O

InChI

InChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H

InChIKey

ITUDNKAMEIUZFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106941-27-9

CID: 155859114

Formula: C14H8N2O2

MW: 236.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	236.22
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	236.058577502
Monoisotopic Mass	236.058577502
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N12964	4-Hydroxycanthin-6-one
LDA29341-01	10-Hydroxycanthin-6-one
FDA78759-01	1-Hydroxycanthin-6-one
ADA96983-01	11-Hydroxycanthin-6-one
HY-N7183	9-Hydroxycanthin-6-one
AB3135	4-Methoxy-5-hydroxycanthin-6-one
HY-N8784	5-Hydroxycanthin-6-one
CDA72942-01	4,4,6,6-Tetramethylazepan-2-one
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4-Hydroxycanthin-6-one

Chemical Information

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