Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08153"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.
Hydroxybenzoic Acid Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
p-Chlorophenols
Resorcinols
o-Chlorophenols
Chlorobenzenes
Aryl Chlorides
Ketones
Carboxylic Acid Esters
Dialkyl Ethers
Polyamines
Enols
Organochlorides
4-chlorophenol
2-chlorophenol
4-halophenol
resorcinol
2-halophenol
chlorobenzene
phenol derivative
aryl halide
aryl chloride
ketone
carboxylic acid ester
dialkyl ether
polyamine
enol
carboxylic acid derivative
carbonyl group
organochloride
organohalogen
logP
4.22
ALOGPS
logS
-3.6
ALOGPS
Water Solubility
8.90e-02 g/l
ALOGPS
logP
4.92
ChemAxon
IUPAC Name
14-chloro-15,17-dihydroxy-1,3,4,7,8,9,10,11,12,13-decahydro-2-benzoxacyclopentadecine-1,12-dione
ChemAxon
Traditional IUPAC Name
14-chloro-15,17-dihydroxy-3,4,7,8,9,10,11,13-octahydro-2-benzoxacyclopentadecine-1,12-dione
ChemAxon
Molecular Weight
352.809
ChemAxon
Monoisotopic Weight
352.107751489
ChemAxon
SMILES
OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl
ChemAxon
Molecular Formula
C18H21ClO5
ChemAxon
InChI
InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2/b5-3+
ChemAxon
InChIKey
InChIKey=VZTAZMSAAIUZJV-HWKANZROSA-N
ChemAxon
Polar Surface Area (PSA)
83.83
ChemAxon
Refractivity
93.33
ChemAxon
Polarizability
35.73
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
7.03
ChemAxon
pKa (strongest basic)
-4.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
11987878
PubChem Substance
99444624
ChemSpider
10160351
PDB
M1S
BE0001898
Heat shock protein HSP 90-beta
Human
# 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
Heat shock protein HSP 90-beta
Posttranslational modification, protein turnover, chaperones
Molecular chaperone. Has ATPase activity
HSP90AB1
6p12
Cytoplasm. Melanosome. Note=Identified by mass spectrometry in melanosome fractions from stage I to
None
4.68
83265.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:5258
GenAtlas
HSP90AB1
GeneCards
HSP90AB1
GenBank Gene Database
M16660
GenBank Protein Database
306891
UniProtKB
P08238
UniProt Accession
HS90B_HUMAN
HSP 84
HSP 90
>Heat shock protein HSP 90-beta
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
>2175 bp
ATGCCTGAGGAAGTGCACCATGGAGAGGAGGAGGTGGAGACTTTTGCCTTTCAGGCAGAA
ATTGCCCAACTCATGTCCCTCATCATCAATACCTTCTATTCCAACAAGGAGATTTTCCTT
CGGGAGTTGATCTCTAATGCTTCTGATGCCTTGGACAAGATTCGCTATGAGAGCCTGACA
GACCCTTCGAAGTTGGACAGTGGTAAAGAGCTGAAAATTGACATCATCCCCAACCCTCAG
GAACGTACCCTGACTTTGGTAGACACAGGCATTGGCATGACCAAAGCTGATCTCATAAAT
AATTTGGGAACCATTGCCAAGTCTGGTACTAAAGCATTCATGGAGGCTCTTCAGGCTGGT
GCAGACATCTCCATGATTGGGCAGTTTGGTGTTGGCTTTTATTCTGCCTACTTGGTGGCA
GAGAAAGTGGTTGTGATCAGAAAGCACAACGATGATGAACAGTATGCTTGGGAGTCTTCT
GCTGGAGGTTCCTTCACTGTGCGTGCTGACCATGGTGAGCCCATTGGCATGGGTACCAAA
GTGATCCTCCATCTTAAAGAAGATCAGACAGAGTACCTAGAAGAGAGGCGGGTCAAAGAA
GTAGTGAAGAAGCATTCTCAGTTCATAGGCTATCCCATCACCCTTTATTTGGAGAAGGAA
CGAGAGAAGGAAATTAGTGATGATGAGGCAGAGGAAGAGAAAGGTGAGAAAGAAGAGGAA
GATAAAGATGATGAAGAAAAGCCCAAGATCGAAGATGTGGGTTCAGATGAGGAGGATGAC
AGCGGTAAGGATAAGAAGAAGAAAACTAAGAAGATCAAAGAGAAATACATTGATCAGGAA
GAACTAAACAAGACCAAGCCTATTTGGACCAGAAACCCTGATGACATCACCCAAGAGGAG
TATGGAGAATTCTACAAGAGCCTCACTAATGACTGGGAAGACCACTTGGCAGTCAAGCAC
TTTTCTGTAGAAGGTCAGTTGGAATTCAGGGCATTGCTATTTATTCCTCGTCGGGCTCCC
TTTGACCTTTTTGAGAACAAGAAGAAAAAGAACAACATCAAACTCTATGTCCGCCGTGTG
TTCATCATGGACAGCTGTGATGAGTTGATACCAGAGTATCTCAATTTTATCCGTGGTGTG
GTTGACTCTGAGGATCTGCCCCTGAACATCTCCCGAGAAATGCTCCAGCAGAGCAAAATC
TTGAAAGTCATTCGCAAAAACATTGTTAAGAAGTGCCTTGAGCTCTTCTCTGAGCTGGCA
GAAGACAAGGAGAATTACAAGAAATTCTATGAGGCATTCTCTAAAAATCTCAAGCTTGGA
ATCCACGAAGACTCCACTAACCGCCGCCGCCTGTCTGAGCTGCTGCGCTATCATACCTCC
CAGTCTGGAGATGAGATGACATCTCTGTCAGAGTATGTTTCTCGCATGAAGGAGACACAG
AAGTCCATCTATTACATCACTGGTGAGAGCAAAGAGCAGGTGGCCAACTCAGCTTTTGTG
GAGCGAGTGCGGAAACGGGGCTTCGAGGTGGTATATATGACCGAGCCCATTGACGAGTAC
TGTGTGCAGCAGCTCAAGGAATTTGATGGGAAGAGCCTGGTCTCAGTTACCAAGGAGGGT
CTGGAGCTGCCTGAGGATGAGGAGGAGAAGAAGAAGATGGAAGAGAGCAAGGCAAAGTTT
GAGAACCTCTGCAAGCTCATGAAAGAAATCTTAGATAAGAAGGTTGAGAAGGTGACAATC
TCCAATAGACTTGTGTCTTCACCTTGCTGCATTGTGACCAGCACCTACGGCTGGACAGCC
AATATGGAGCGGATCATGAAAGCCCAGGCACTTCGGGACAACTCCACCATGGGCTATATG
ATGGCCAAAAAGCACCTGGAGATCAACCCTGACCACCCCATTGTGGAGACGCTGCGGCAG
AAGGCTGAGGCCGACAAGAATGATAAGGCAGTTAAGGACCTGGTGGTGCTGCTGTTTGAA
ACCGCCCTGCTATCTTCTGGCTTTTCCCTTGAGGATCCCCAGACCCACTCCAACCGCATC
TATCGCATGATCAAGCTAGGTCTAGGTATTGATGAAGATGAAGTGGCAGCAGAGGAACCC
AATGCTGCAGTTCCTGATGAGATCCCCCCTCTCGAGGGCGATGAGGATGCGTCTCGCATG
GAAGAAGTCGATTAG
PF02518
HATPase_c
PF00183
HSP90
function
unfolded protein binding
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
protein binding
function
ATP binding
function
binding
process
physiological process
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
protein folding
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object