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(+)-Columbianetin - ≥99% , CAS No.3804-70-4

CAS: 3804-70-4 Cat. No.: C648021 Molecular Weight: 246.26 PubChem CID: 92201
COA
(+)-Columbianetin - ≥99% CAS No(3804-70-4) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
(+)-columbianetin | 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)- | CHEBI:437678 | (8S)-8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one | 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydr
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Status
Price
Qty
5mg
C648021-5mg
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$65.90

$98.90
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10mg
C648021-10mg
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$117.90

$176.90
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20mg
C648021-20mg
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$212.90

$319.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications 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

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

(+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery ( Apium graveolens ) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity.

Form:Solid

Specifications

Synonyms
(+)-columbianetin | 2H-Furo(2, 3-h)-1-benzopyran-2-one, 8, 9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)- | CHEBI:437678 | (8S)-8, 9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2, 3-h]1-benzopyran-2-one | 2H-Furo[2, 3-h]-1-benzopyran-2-one, 8, 9-dihydro-8-(1-hydr
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
(+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery ( Apium graveolens ) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity.
Storage
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
IUPAC Name(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
InChIKeyYRAQEMCYCSSHJG-NSHDSACASA-N
INCHI1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1
Isomeric SMILES CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
PubChem CID 92201
Molecular Weight 246.26

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.

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📊 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

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
SubclassFuranocoumarins
Intermediate Tree Nodes Not available
Direct ParentAngular furanocoumarins
Alternative Parents 1-benzopyrans  Coumarans  Pyranones and derivatives  Alkyl aryl ethers  Benzenoids  Tertiary alcohols  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Angular furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors columbianetin
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (406.07 mM; Need ultrasonic)
Molecular Weight246.260 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass246.089 Da
Monoisotopic Mass246.089 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity387.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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