Glaucarubinone , CAS No.1259-86-5

CAS: 1259-86-5 Cat. No.: G668284 Peso molecular: 494.5 PubChem CID: 441796

COA

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Glaucarubinone - CAS No(1259-86-5) by Aladdin Scientific

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Synonyms

Glaucarubinone | (+)-Glaucarubinone | MLS002703011 | CHEBI:5371 | NSC 277286 | NSC132791 | (S)-(1R,2R,3R,3aS,3a1S,4R,6aR,7aS,11S,11aS,11bR)-1,2,11-Trihydroxy-3,8,11a-trimethyl-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-1,3a1-(epoxymethano)

Storage

Room temperature

Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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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

Sinónimos

Glaucarubinone | (+)-Glaucarubinone | MLS002703011 | CHEBI:5371 | NSC 277286 | NSC132791 | (S)-(1R, 2R, 3R, 3aS, 3a1S, 4R, 6aR, 7aS, 11S, 11aS, 11bR)-1, 2, 11-Trihydroxy-3, 8, 11a-trimethyl-5, 10-dioxo-2, 3, 3a, 4, 5, 6a, 7, 7a, 10, 11, 11a, 11b-dodecahydro-1H-1, 3a1-(epoxymethano)

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Propiedades del producto

ALogP	0.1

Nombres e identificadores

Sonrisas canónicas	CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)O
IUPAC Name	[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
InChIKey	WRBGCYVAJRRQKP-STDAJNJZSA-N
INCHI	1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
Isómeros SMILES	CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)O
PubChem CID	441796
Peso molecular	494.5

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Not available
Direct Parent	Quassinoids
Alternative Parents	Triterpenoids Naphthopyrans Naphthalenes Cyclohexenones Delta valerolactones Fatty acid esters Oxepanes Dicarboxylic acids and derivatives Pyrans Oxanes Tertiary alcohols Tetrahydrofurans Cyclic alcohols and derivatives Hemiacetals Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Triterpenoid - Polycyclic triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Cyclohexenone - Pyran - Fatty acyl - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Hemiacetal - Lactone - Ketone - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
External Descriptors	Dammarenes
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

Estructura 3D

Objetivos asociados (humanos)

JUN Tchem Transcription factor AP-1 (2 Activities)

Discover Target: JUN

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

PAX8 Tchem Paired box protein Pax-8 (0 Activities)

Discover Target: PAX8

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

JUN Tchem Proto-oncogene c-JUN (434 Activities)

Discover Target: JUN

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

CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)

Discover Target: CHUK

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

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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

A498 (42825 Activities)

Peso molecular	494.500 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	494.215 Da
Monoisotopic Mass	494.215 Da
Topological Polar Surface Area	160.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	1020.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
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