Bioactive component of Andrographis paniculata . Potent anti-inflammatory, immunosuppressant, antithrombotic and antiviral agent. Additionally displays antioxidative stress, neuroprotective and antinociceptive activities.

보관 조건

Protected from light,Room temperature

배송

Normal

등급

Moligand™, 분석 표준물질

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

이름과 식별자

Pubchem Sid

528774464

정식 스마일

CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O

IUPAC Name

(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

InChIKey

BOJKULTULYSRAS-OTESTREVSA-N

INCHI

1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1

이성체 SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O

WGK 독일

RTECS

LU3490750

대체 CAS

5508-58-7

MeSH 용어

17-hydro-9-dehydro-andrographolide;andrographolide;isoandrographolide

분자량

350.45

Beilstein

42762

Reaxy-Rn

29234534

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29234534&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (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 Organoheterocyclic compounds
  - 분류 Lactones
    - Subclass Gamma butyrolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Lactones
Subclass	Gamma butyrolactones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma butyrolactones
Alternative Parents	Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
External Descriptors	secondary alcohol - primary alcohol - gamma-lactone - carbobicyclic compound - labdane diterpenoid
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 구조

관련 대상(인간)

TAS2R8 Tchem Taste receptor type 2 member 8 (0 Activities)

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

TAS2R46 Tchem Taste receptor type 2 member 46 (0 Activities)

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TAS2R50 Tchem Taste receptor type 2 member 50 (0 Activities)

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

MGAM Tclin Maltase-glucoamylase (654 Activities)

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

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

GBA3 Tbio Beta-glucosidase cytosolic (63 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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

NFKBIA Tchem NF-kappaB inhibitor alpha (187 Activities)

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

5637 (630 Activities)

Lot Number	Certificate Type	날짜	항목
H2301031	Certificate of Analysis	Aug 08, 2023	A101650
H2301035	Certificate of Analysis	Aug 08, 2023	A101650
H2301038	Certificate of Analysis	Aug 08, 2023	A101650
H2301156	Certificate of Analysis	Aug 08, 2023	A101650
J1730089	Certificate of Analysis	Mar 09, 2023	A101650

감도	Air & Light & Moisture sensitive
특정 회전[α]	-126° (C=1.5,AcOH)
녹는점(°C)	229-232°C
분자량	350.400 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	350.209 Da
Monoisotopic Mass	350.209 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	597.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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

Andrographolide - Moligand™, analytical standard , CAS No.5508-58-7

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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