Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07410"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenylbenzofurans.
Phenylbenzofurans
Organic Compounds
Heterocyclic Compounds
Benzofurans
Phenylbenzofurans
Dibenzofurans
Benzene and Substituted Derivatives
Furans
Organic Phosphonic Acids
Polyamines
dibenzofuran
benzene
phosphonic acid derivative
furan
phosphonic acid
polyamine
logP
1.73
ALOGPS
logS
-3.8
ALOGPS
Water Solubility
7.14e-02 g/l
ALOGPS
logP
2.47
ChemAxon
IUPAC Name
[1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethyl]phosphonic acid
ChemAxon
Traditional IUPAC Name
1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethylphosphonic acid
ChemAxon
Molecular Weight
448.2996
ChemAxon
Monoisotopic Weight
448.047690576
ChemAxon
SMILES
OC(CC1=CC(=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)(P(O)(O)=O)P(O)(O)=O
ChemAxon
Molecular Formula
C20H18O8P2
ChemAxon
InChI
InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)
ChemAxon
InChIKey
InChIKey=BYVXAUZOTGITQZ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
148.43
ChemAxon
Refractivity
109.59
ChemAxon
Polarizability
41.28
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
0.69
ChemAxon
pKa (strongest basic)
-3.8
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
16122553
PubChem Substance
99443881
ChemSpider
17279472
PDB
B29
BE0003570
Geranylgeranyl pyrophosphate synthase
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
Geranylgeranyl pyrophosphate synthase
Coenzyme transport and metabolism
Catalyzes the trans-addition of the three molecules of IPP onto DMAPP to form geranylgeranyl pyrophosphate, an important precursor of carotenoids and geranylated proteins
GGPS1
1q43
Cytoplasm
None
6.06
34870.6
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:4249
GeneCards
GGPS1
GenBank Gene Database
AB017971
GenBank Protein Database
4520350
UniProtKB
O95749
UniProt Accession
GGPPS_HUMAN
Dimethylallyltranstransferase
Farnesyltranstransferase
Geranylgeranyl diphosphate synthase
Geranyltranstransferase
GGPP synthetase
GGPPSase
>Geranylgeranyl pyrophosphate synthetase
MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIIIEVTEMLHNAS
LLIDDIEDNSKLRRGFPVAHSIYGIPSVINSANYVYFLGLEKVLTLDHPDAVKLFTRQLL
ELHQGQGLDIYWRDNYTCPTEEEYKAMVLQKTGGLFGLAVGLMQLFSDYKEDLKPLLNTL
GLFFQIRDDYANLHSKEYSENKSFCEDLTEGKFSFPTIHAIWSRPESTQVQNILRQRTEN
IDIKKYCVHYLEDVGSFEYTRNTLKELEAKAYKQIDARGGNPELVALVKHLSKMFKEENE
PF00348
polyprenyl_synt
process
primary metabolism
process
lipid metabolism
process
cellular lipid metabolism
process
isoprenoid metabolism
process
isoprenoid biosynthesis
process
physiological process
process
metabolism
BE0003350
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
Escherichia coli (strain K12)
# 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
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
Involved in transferase activity
Generates undecaprenyl pyrophosphate (UPP) from isopentenyl pyrophosphate (IPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide
uppS
None
6.96
28444.0
Escherichia coli (strain K12)
GenBank Gene Database
U00096
UniProtKB
P60472
UniProt Accession
UPPS_ECOLI
Di-trans,poly-cis-decaprenylcistransferase
EC 2.5.1.31
UDS
Undecaprenyl diphosphate synthase
UPP synthetase
>Undecaprenyl pyrophosphate synthetase
MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANN
GIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRL
QERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQH
VCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE
RRFGGTEPGDETA
>762 bp
GTGATGTTGTCTGCTACTCAACCACTTAGCGAAAAATTGCCAGCGCATGGCTGCCGTCAT
GTTGCGATCATTATGGACGGCAATGGCCGCTGGGCAAAAAAGCAAGGGAAGATTCGTGCC
TTTGGGCATAAAGCCGGGGCAAAATCCGTCCGCCGGGCTGTCTCTTTTGCGGCCAACAAC
GGTATTGAGGCGTTAACGCTGTATGCCTTTAGTAGTGAAAACTGGAACCGACCAGCGCAG
GAAGTCAGTGCGTTAATGGAACTGTTTGTGTGGGCGCTCGATAGCGAAGTAAAAAGTCTG
CACCGACATAACGTGCGTCTGCGTATTATTGGCGATACCAGTCGCTTTAACTCGCGTTTG
CAAGAACGTATTCGTAAATCTGAAGCGCTAACAGCCGGGAATACCGGTCTGACGCTGAAT
ATTGCGGCGAACTACGGTGGACGTTGGGATATAGTCCAGGGAGTCAGGCAACTGGCTGAA
AAGGTGCAGCAAGGAAACCTGCAACCAGATCAGATAGATGAAGAGATGCTAAACCAGCAT
GTCTGTATGCATGAACTGGCCCCTGTAGATTTAGTAATTAGGACTGGGGGGGAGCATCGC
ATTAGTAACTTTTTGCTTTGGCAAATTGCCTATGCCGAACTTTACTTTACAGATGTTCTC
TGGCCCGATTTCGATGAACAAGACTTTGAAGGGGCGTTAAATGCCTTTGCTAATCGAGAG
CGTCGTTTCGGCGGCACCGAGCCCGGTGATGAAACAGCCTGA
PF01255
Prenyltransf
function
transferase activity
function
catalytic activity
process
metabolism
process
physiological process
"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object