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84-24-2 | 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylicacid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
CAS No: 84-24-2 Catalog No: AG004OCT MDL No:
Product Description
Catalog Number:
AG004OCT
Chemical Name:
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylicacid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
CAS Number:
84-24-2
Molecular Formula:
C26H30O8
Molecular Weight:
470.5116
IUPAC Name:
3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
InChI:
InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
InChI Key:
KVTYWHGIZSCFLG-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O
UNII:
X901BNT6BF
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.194g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
470.518g/mol
Monoisotopic Mass:
470.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Antioxidant and antimicrobial properties of some lichens and their constituents. | Journal of medicinal food 20111201 |
| Metal homeostasis in Hypogymnia physodes is controlled by lichen substances. | Environmental pollution (Barking, Essex : 1987) 20080501 |
| Antimicrobial activity of extracts of chemical races of the lichen Pseudevernia furfuracea and their physodic acid, chloroatranorin, atranorin, and olivetoric acid constituents. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20060101 |
| Chemistry of the lichen Hypogymnia physodes transplanted to an industrial region. | Journal of chemical ecology 20051201 |
| The antimicrobial activity of extracts of the lichen Hypogymnia tubulosa and its 3-hydroxyphysodic acid constituent. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20050101 |
| Production of phenolics by immobilized cells of the lichen Pseudevernia furfuracea: the role of epiphytic bacteria. | International microbiology : the official journal of the Spanish Society for Microbiology 20010601 |
| Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching. | Journal of medicinal chemistry 19970314 |
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