Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02224"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2s,3s)-Trans-Dihydroquercetin"
|
| rdf:type | |
| drugbank:description |
"
480-18-2
experimental
This compound belongs to the flavanonols. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing an hydroxyl group and a ketone at the carbon C2 and C3, respectively.
Flavanonols
Organic Compounds
Phenylpropanoids and Polyketides
Flavonoids
Flavans
Chromones
Resorcinols
Catechols
Alkyl Aryl Ethers
Ketones
Secondary Alcohols
Polyols
Polyamines
Enols
chromone
chromane
benzopyran
resorcinol
1,2-diphenol
alkyl aryl ether
phenol derivative
benzene
ketone
secondary alcohol
polyol
polyamine
ether
enol
carbonyl group
alcohol
logP
1.07
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
1.16e+00 g/l
ALOGPS
logP
1.82
ChemAxon
IUPAC Name
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
ChemAxon
Traditional IUPAC Name
(+)-taxifolin
ChemAxon
Molecular Weight
304.2516
ChemAxon
Monoisotopic Weight
304.058302738
ChemAxon
SMILES
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
ChemAxon
Molecular Formula
C15H12O7
ChemAxon
InChI
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
ChemAxon
InChIKey
InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-N
ChemAxon
Polar Surface Area (PSA)
127.45
ChemAxon
Refractivity
74.61
ChemAxon
Polarizability
29.03
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
7.8
ChemAxon
pKa (strongest basic)
-3.9
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
logP
0.95
PERRISSOUD,D & TESTA,B (1986)
ChEBI
17948
PubChem Compound
439533
PubChem Substance
46508033
KEGG Compound
C01617
ChemSpider
458
PDB
DH2
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object