Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01650"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"trans-2-hydroxycinnamic acid"
|
| drugbank:description |
"
614-60-8
experimental
This compound belongs to the coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C4 carbon atom of the benzene ring.
Coumaric Acids
Organic Compounds
Phenylpropanoids and Polyketides
Cinnamic Acids and Derivatives
Hydroxycinnamic Acids and Derivatives
Hydroxycinnamic Acids
Cinnamic Acids
Phenylpropenes
Styrenes
Phenols and Derivatives
Enones
Enols
Enolates
Polyamines
Carboxylic Acids
phenylpropene
styrene
phenol derivative
benzene
enone
enolate
polyamine
enol
carboxylic acid
carboxylic acid derivative
(2E)-3-(2-Hydroxyphenyl)-2-propenoic acid
(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
(E)-3-(2-Hydroxyphenyl)-2-propenoic acid
(e)-o-hydroxycinnamic acid
2-Coumarate
2-Coumaric acid
2-Hydroxycinnamate
2-Hydroxycinnamic acid
3-(2-hydroxyphenyl)acrylic acid
3-(2-hydroxyphenyl)prop-2-enoic acid
O-Coumaric Acid
O-hydroxy-trans-cinnamic acid
O-hydroxycinnamic acid
Ortho-hydroxycinnamic acid
trans-2-Hydroxycinnamate
Trans-o-coumaric acid
Trans-o-hydroxycinnamic acid
logP
1.9
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
1.15e+00 g/l
ALOGPS
logP
1.83
ChemAxon
IUPAC Name
(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
ChemAxon
Traditional IUPAC Name
O-coumaric acid
ChemAxon
Molecular Weight
164.158
ChemAxon
Monoisotopic Weight
164.047344122
ChemAxon
SMILES
OC(=O)\C=C\C1=CC=CC=C1O
ChemAxon
Molecular Formula
C9H8O3
ChemAxon
InChI
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
ChemAxon
InChIKey
InChIKey=PMOWTIHVNWZYFI-AATRIKPKSA-N
ChemAxon
Polar Surface Area (PSA)
57.53
ChemAxon
Refractivity
45.04
ChemAxon
Polarizability
16.11
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.04
ChemAxon
pKa (strongest basic)
-6
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
Melting Point
217 dec °C
PhysProp
ChEBI
18125
PubChem Compound
637540
PubChem Substance
46505688
KEGG Compound
C01772
ChemSpider
553146
PDB
2HC
BE0001226
Major NAD(P)H-flavin oxidoreductase
Vibrio fischeri
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# 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
Major NAD(P)H-flavin oxidoreductase
Energy production and conversion
Involved in bioluminescence. It is a good supplier of reduced flavin mononucleotide (FMNH2) to the bioluminescence reaction. Major FMN reductase. It is capable of using both NADH and NADPH as electron donors. As electron acceptor, FMN is the most effective, FAD is considerably effective, and riboflavin is the least effective
None
6.12
24721.0
Vibrio fischeri
GenBank Gene Database
D17743
GenBank Protein Database
6539550
UniProtKB
P46072
UniProt Accession
FRA1_VIBFI
EC 1.6.99.-
FRASE I
>Major NAD(P)H-flavin oxidoreductase
MTHPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKFIVIESDAAKQ
RMHDSFANMHQFNQPHIKACSHVILFANKLSYTRDDYDVVLSKAVADKRITEEQKEAAFA
SFKFVELNCDENGEHKAWTKPQAYLALGNALHTLARLNIDSTTMEGIDPELLSEIFADEL
KGYECHVALAIGYHHPSEDYNASLPKSRKAFEDVITIL
>657 bp
ATGACGCATCCAATTATTCATGATCTTGAAAATCGTTATACATCAAAAAAATATGACCCA
TCAAAGAAAGTATCTCAAGAAGATTTAGCGGTTTTGCTTGAGGCTCTGCGTTTATCTGCT
TCTTCAATTAATTCACAGCCTTGGAAATTCATTGTTATTGAATCCGATGCAGCGAAGCAA
CGTATGCATGATTCGTTTGCAAATATGCATCAGTTTAATCAACCTCACATCAAAGCGTGT
TCTCATGTGATTTTATTTGCAAATAAGCTTTCGTATACACGAGATGATTATGATGTGGTT
TTATCTAAAGCGGTTGCTGACAAGCGTATTACTGAAGAGCAAAAAGAAGCTGCTTTTGCT
TCGTTTAAGTTTGTAGAATTGAACTGTGATGAAAATGGTGAGCATAAAGCATGGACTAAG
CCTCAAGCTTATTTAGCTCTTGGTAATGCTCTGCATACATTAGCTAGACTGAACATTGAC
TCAACAACAATGGAAGGCATTGATCCTGAATTATTGAGTGAAATTTTTGCTGATGAATTA
AAAGGGTATGAATGTCATGTTGCTTTAGCCATTGGTTATCATCATCCAAGCGAAGATTAT
AATGCCTCTTTGCCTAAGTCTCGTAAGGCATTTGAAGACGTAATTACCATCCTTTAG
PF00881
Nitroreductase
function
catalytic activity
function
oxidoreductase activity
process
electron transport
process
physiological process
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
BE0003645
Solute carrier family 22 member 8
Human
inhibitor
# Deguchi T, Ohtsuki S, Otagiri M, Takanaga H, Asaba H, Mori S, Terasaki T: Major role of organic anion transporter 3 in the transport of indoxyl sulfate in the kidney. Kidney Int. 2002 May;61(5):1760-8. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11967025
unknown
Solute carrier family 22 member 8
Carbohydrate transport and metabolism
Plays an important role in the excretion/detoxification of endogenous and exogenous organic anions, especially from the brain and kidney. Involved in the transport basolateral of steviol, fexofenadine. Transports benzylpenicillin (PCG), estrone- 3-sulfate (E1S), cimetidine (CMD), 2,4-dichloro-phenoxyacetate (2,4-D), p-amino-hippurate (PAH), acyclovir (ACV) and ochratoxin (OTA)
SLC22A8
11q11
Basolateral cell membrane
10-30
124-144
155-175
177-197
213-233
237-257
328-348
355-375
387-407
412-432
472-492
9.05
59855.6
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:10972
GeneCards
SLC22A8
GenBank Gene Database
AF097491
GenBank Protein Database
4378059
UniProtKB
Q8TCC7
UniProt Accession
S22A8_HUMAN
hOAT3
Organic anion transporter 3
>Solute carrier family 22 member 8
MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCRPPHNASTGPW
VLPMGPNGKPERCLRFVHPPNASLPNDTQRAMEPCLDGWVYNSTKDSIVTEWDLVCNSNK
LKEMAQSIFMAGILIGGLVLGDLSDRFGRRPILTCSYLLLAASGSGAAFSPTFPIYMVFR
FLCGFGISGITLSTVILNVEWVPTRMRAIMSTALGYCYTFGQFILPGLAYAIPQWRWLQL
TVSIPFFVFFLSSWWTPESIRWLVLSGKSSKALKILRRVAVFNGKKEEGERLSLEELKLN
LQKEISLAKAKYTASDLFRIPMLRRMTFCLSLAWFATGFAYYSLAMGVEEFGVNLYILQI
IFGGVDVPAKFITILSLSYLGRHTTQAAALLLAGGAILALTFVPLDLQTVRTVLAVFGKG
CLSSSFSCLFLYTSELYPTVIRQTGMGVSNLWTRVGSMVSPLVKITGEVQPFIPNIIYGI
TALLGGSAALFLPETLNQPLPETIEDLENWSLRAKKPKQEPEVEKASQRIPLQPHGPGLG
SS
PF07690
MFS_1
component
cell
component
intrinsic to membrane
component
integral to membrane
component
membrane
function
transporter activity
function
ion transporter activity
process
physiological process
process
cellular physiological process
process
transport
process
ion transport
"
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| rdf:type | |
| 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