Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08517"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
7-O-methylated Flavonoids
Organic Compounds
Phenylpropanoids and Polyketides
Flavonoids
O-methylated Flavonoids
Flavanones
Chromones
Methoxyphenols and Derivatives
Anisoles
Alkyl Aryl Ethers
Ketones
Enols
Polyamines
chromone
chromane
benzopyran
methoxyphenol
phenol ether
anisole
phenol derivative
alkyl aryl ether
benzene
ketone
enol
polyamine
ether
carbonyl group
logP
2.86
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
8.83e-02 g/l
ALOGPS
logP
2.98
ChemAxon
IUPAC Name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
ChemAxon
Traditional IUPAC Name
sakuranetin
ChemAxon
Molecular Weight
286.2794
ChemAxon
Monoisotopic Weight
286.084123558
ChemAxon
SMILES
[H][C@]1(CC(=O)C2=C(O1)C=C(OC)C=C2O)C1=CC=C(O)C=C1
ChemAxon
Molecular Formula
C16H14O5
ChemAxon
InChI
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
ChemAxon
InChIKey
InChIKey=DJOJDHGQRNZXQQ-AWEZNQCLSA-N
ChemAxon
Polar Surface Area (PSA)
75.99
ChemAxon
Refractivity
75.77
ChemAxon
Polarizability
29.41
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.33
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
PubChem Compound
73571
PubChem Substance
99444988
ChemSpider
66249
PDB
SAK
BE0003757
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Helicobacter pylori
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Lipid transport and metabolism
Involved in saturated fatty acids biosynthesis (By similarity)
fabZ
Cytoplasm (By similarity)
None
6.81
18184.1
Helicobacter pylori
GeneCards
fabZ
GenBank Gene Database
AY725427
GenBank Protein Database
56684725
UniProtKB
Q5G940
UniProt Accession
Q5G940_HELPX
>(3R)-hydroxymyristoyl-acyl carrier protein dehydratase
MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRITELQANQKIVAYKNITFNEDVFNGHFP
NKPIFPGVLIVEGMAQSGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLE
YHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
PF07977
FabA
component
cell
component
intracellular
component
cytoplasm
function
carbon-oxygen lyase activity
function
hydro-lyase activity
function
catalytic activity
function
lyase activity
process
organic acid metabolism
process
physiological process
process
carboxylic acid metabolism
process
fatty acid metabolism
process
metabolism
process
fatty acid biosynthesis
process
cellular metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object