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5947-49-9,MFCD00074825
Catalog No.:AA00IAHA

5947-49-9 | 1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-

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Purity
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10mg
98%
in stock  
$181.00   $127.00
- +
25mg
98%
in stock  
$336.00   $235.00
- +
50mg
98%
in stock  
$557.00   $390.00
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100mg
98%
in stock  
$957.00   $670.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IAHA
Chemical Name:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-
CAS Number:
5947-49-9
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
MDL Number:
MFCD00074825
SMILES:
Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)O
Properties
Properties
 
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
407  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Literature

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry 20121115

Title: Identification of novel liver X receptor activators by structure-based modeling.

Journal: Journal of chemical information and modeling 20120525

Title: Evaluation of traditional Indian antidiabetic medicinal plants for human pancreatic amylase inhibitory effect in vitro.

Journal: Evidence-based complementary and alternative medicine : eCAM 20110101

Title: Design, synthesis, and characterization of BK channel openers based on oximation of abietane diterpene derivatives.

Journal: Bioorganic & medicinal chemistry 20101215

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microbial transformation of podocarpic acid and evaluation of transformation products for antioxidant activity.

Journal: Planta medica 20100501

Title: In silico identification of anthropogenic chemicals as ligands of zebrafish sex hormone binding globulin.

Journal: Toxicology and applied pharmacology 20090101

Title: Cancer chemopreventive activity of 'rosin' constituents of Pinus spez. and their derivatives in two-stage mouse skin carcinogenesis test.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology 20081101

Title: Design, synthesis and characterization of podocarpate derivatives as openers of BK channels.

Journal: Bioorganic & medicinal chemistry letters 20081001

Title: Design, structure activity relationships and X-Ray co-crystallography of non-steroidal LXR agonists.

Journal: Current medicinal chemistry 20080101

Title: Design, synthesis, and structure-activity relationship of podocarpic acid amides as liver X receptor agonists for potential treatment of atherosclerosis.

Journal: Bioorganic & medicinal chemistry letters 20051015

Title: Diterpenoid, steroid, and triterpenoid agonists of liver X receptors from diversified terrestrial plants and marine sources.

Journal: Journal of natural products 20050801

Title: Discovery and development of dimeric podocarpic acid leads as potent agonists of liver X receptor with HDL cholesterol raising activity in mice and hamsters.

Journal: Bioorganic & medicinal chemistry letters 20050602

Title: Dimethyl 6-methoxy-4abeta-methyl-9-oxo-1,2,3,4,4a,9,10,10abeta-octahydrophenanthrene-1,1-dicarboxylate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030301

Title: Baraka HN. Microbial transformation of podocarpic acid and evaluation of transformation products for antioxidant activity. Planta Med. 2010 May;76(8):815-7.

Title: Singh S, et al. Discovery and development of dimeric podocarpic acid leads as potent agonists of liver X receptor with HDL cholesterol raising activity in mice and hamsters. Bioorg Med Chem Lett. 2005 Jun 2;15(11):2824-8.

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Tags:5947-49-9 Molecular Formula|5947-49-9 MDL|5947-49-9 SMILES|5947-49-9 1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-