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Home Other Building Blocks Neoandrographolide

Neoandrographolide

CAS No.:
27215-14-1
Catalog Number:
AG00BC02
Molecular Formula:
C26H40O8
Molecular Weight:
480.5910
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
≥95%
1 week
United States
$239
- +
10mg
≥95%
1 week
United States
$373
- +
Product Description
Catalog Number:
AG00BC02
Chemical Name:
Neoandrographolide
CAS Number:
27215-14-1
Molecular Formula:
C26H40O8
Molecular Weight:
480.5910
MDL Number:
MFCD07779130
IUPAC Name:
4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
InChI:
InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChI Key:
YGCYRQKJYWQXHG-RDNQFMDVSA-N
SMILES:
OC[C@H]1O[C@@H](OC[C@]2(C)CCC[C@@]3([C@@H]2CCC(=C)[C@H]3CCC2=CCOC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
XBY0Z806J2
Properties
Complexity:
811  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
480.272g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
480.598g/mol
Monoisotopic Mass:
480.272g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Specificity and inhibitory mechanism of andrographolide and its analogues as antiasthma agents on NF-κB p50. Journal of natural products 20150227
Quantitative analysis of four major diterpenoids in Andrographis paniculata by 1H NMR and its application for quality control of commercial preparations. Journal of pharmaceutical and biomedical analysis 20121101
Different AhR binding sites of diterpenoid ligands from Andrographis paniculata caused differential CYP1A1 induction in primary culture in mouse hepatocytes. Toxicology in vitro : an international journal published in association with BIBRA 20111201
Study of anti-inflammatory activities of the pure compounds from Andrographis paniculata (burm.f.) Nees and their effects on gene expression. International immunopharmacology 20101101
Neoandrographolide from Andrographis paniculata as a potential natural chemosensitizer. Planta medica 20101001
Recent advances in plant hepatoprotectives: a chemical and biological profile of some important leads. Medicinal research reviews 20080901
ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata. Journal of natural products 20080501
Inhibitory effects of neoandrographolide on nitric oxide and prostaglandin E2 production in LPS-stimulated murine macrophage. Molecular and cellular biochemistry 20070401
In vivo and in vitro anti-inflammatory activities of neoandrographolide. The American journal of Chinese medicine 20070101
Inhibitory effect of Andrographis paniculata extract and its active diterpenoids on platelet aggregation. European journal of pharmacology 20061228
[Studies on diterpenoids from Andrographis paniculata]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20061001
ent-Labdane diterpenoids from Andrographis paniculata. Journal of natural products 20060301
Antiviral properties of ent-labdene diterpenes of Andrographis paniculata nees, inhibitors of herpes simplex virus type 1. Phytotherapy research : PTR 20051201
Chemical fingerprinting of Andrographis paniculata using HPLC, HPTLC and densitometry. Phytochemical analysis : PCA 20040101
Determination and variation of three active diterpenoids in Andrographis paniculata (Burm.f.) Nees. Phytochemical analysis : PCA 20040101
Separation of andrographolide and neoandrographolide from the leaves of Andrographis paniculata using high-speed counter-current chromatography. Journal of chromatography. A 20030110
Suppression of NO production in activated macrophages in vitro and ex vivo by neoandrographolide isolated from Andrographis paniculata. Biological & pharmaceutical bulletin 20020901
Mechanism of the superoxide scavenging activity of neoandrographolide - a natural product from Andrographis paniculata Nees. Journal of agricultural and food chemistry 20020731
Properties