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116455-20-0 | 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
CAS No: 116455-20-0 Catalog No: AG000CK4 MDL No:
Product Description
Catalog Number:
AG000CK4
Chemical Name:
5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
CAS Number:
116455-20-0
Molecular Formula:
C21H20O8
Molecular Weight:
400.3787
IUPAC Name:
9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C21H20O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,13,22-24,26,28H,5-8H2,1H3
InChI Key:
IGJIPNOEJDYNRR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1c(O)c3CCC(Cc3c(c1C2=O)O)(O)C(CO)O
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.116g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
400.383g/mol
Monoisotopic Mass:
400.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Effects of human oral mucosal tissue, saliva, and oral microflora on intraoral metabolism and bioactivation of black raspberry anthocyanins. | Cancer prevention research (Philadelphia, Pa.) 20110801 |
| Formation of succinyl genistin and succinyl daidzin by Bacillus species. | Journal of food science 20100101 |
| Analysis of flavonol aglycones and terpenelactones in Ginkgo biloba extract: A comparison of high-performance thin-layer chromatography and column high-performance liquid chromatography. | Journal of AOAC International 20070101 |
| Flax lignans--analytical methods and how they influence our lunderstanding of biological activity. | Journal of AOAC International 20060101 |
| Factors affecting the bioavailability of soy isoflavones in humans. | Journal of AOAC International 20060101 |
| Cytochrome P450 homolog is responsible for C-N bond formation between aglycone and deoxysugar in the staurosporine biosynthesis of Streptomyces sp. TP-A0274. | Bioscience, biotechnology, and biochemistry 20050901 |
| Directed evolution of a glycosynthase from Agrobacterium sp. increases its catalytic activity dramatically and expands its substrate repertoire. | The Journal of biological chemistry 20041008 |
| [N-acetylmuramyl-L-alanyl-D-isoglutamine glycosides. Effect of glycoside center configuration and aglycone nature on biological activity]. | Bioorganicheskaia khimiia 20030101 |
| [Herb honey containing sulforaphane-aglycone with potential use in cancer prophylaxis]. | Roczniki Panstwowego Zakladu Higieny 20030101 |
| Excretion of miserotoxin and detoxification of the aglycone by grasshoppers (Orthoptera: Acrididae). | Phytochemistry 20011101 |
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