Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07479"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Phenanthrenes and Derivatives
Organic Compounds
Benzenoids
Phenanthrenes and Derivatives
Tetralins
Naphthalenes
Benzene and Substituted Derivatives
Secondary Alcohols
1,2-Diols
Polyamines
naphthalene
tetralin
benzene
polyol
1,2-diol
secondary alcohol
polyamine
alcohol
logP
1.95
ALOGPS
logS
-3.6
ALOGPS
Water Solubility
6.74e-02 g/l
ALOGPS
logP
2.02
ChemAxon
IUPAC Name
(4R,5R,6R)-tetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1,7,9,11,13,15,17-heptaene-4,5,6-triol
ChemAxon
Traditional IUPAC Name
(4R,5R,6R)-tetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1,7,9,11,13,15,17-heptaene-4,5,6-triol
ChemAxon
Molecular Weight
280.3178
ChemAxon
Monoisotopic Weight
280.109944378
ChemAxon
SMILES
[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O
ChemAxon
Molecular Formula
C18H16O3
ChemAxon
InChI
InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1
ChemAxon
InChIKey
InChIKey=WCUHTHVUZQCBTI-KBAYOESNSA-N
ChemAxon
Polar Surface Area (PSA)
60.69
ChemAxon
Refractivity
80.68
ChemAxon
Polarizability
30.35
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
12.88
ChemAxon
pKa (strongest basic)
-3.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5287834
PubChem Substance
99443950
ChemSpider
4450129
PDB
BPI
BE0000113
DNA polymerase 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
DNA polymerase beta
Replication, recombination and repair
Repair polymerase. Conducts "gap-filling" DNA synthesis in a stepwise distributive fashion rather than in a processive fashion as for other DNA polymerases. Has a 5'-deoxyribose-5- phosphate lyase (dRP lyase) activity
POLB
8p11.2
Nucleus
None
9.41
38047.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9174
GenAtlas
POLB
GeneCards
POLB
GenBank Gene Database
L11607
GenBank Protein Database
292397
UniProtKB
P06746
UniProt Accession
DPOLB_HUMAN
EC 2.7.7.7
EC 4.2.99.-
>DNA polymerase beta
SKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKK
LPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKT
LEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSF
RRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQL
PSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPL
GVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSE
>1008 bp
ATGAGCAAACGGAAGGCGCCGCAGGAGACTCTCAACGGGGGAATCACCGACATGCTCACA
GAACTCGCAAACTTTGAGAAGAACGTGAGCCAAGCTATCCACAAGTACAATGCTTACAGA
AAAGCAGCATCTGTTATAGCAAAATACCCACACAAAATAAAGAGTGGAGCTGAAGCTAAG
AAATTGCCTGGAGTAGGAACAAAAATTGCTGAAAAGATTGATGAGTTTTTAGCAACTGGA
AAATTACGTAAACTGGAAAAGATTCGGCAGGATGATACGAGTTCATCCATCAATTTCCTG
ACTCGAGTTAGTGGCATTGGTCCATCTGCTGCAAGGAAGTTTGTAGATGAAGGAATTAAA
ACACTAGAAGATCTCAGAAAAAATGAAGATAAATTGAACCATCATCAGCGAATTGGGCTG
AAATATTTTGGGGACTTTGAAAAAAGAATTCCTCGTGAAGAGATGTTACAAATGCAAGAT
ATTGTACTAAATGAAGTTAAAAAAGTGGATTCTGAATACATTGCTACAGTCTGTGGCAGT
TTCAGAAGAGGTGCAGAGTCCAGTGGTGACATGGATGTTCTCCTGACCCATCCCAGCTTC
ACTTCAGAATCAACCAAACAGCCAAAACTGTTACATCAGGTTGTGGAGCAGTTACAAAAG
GTTCATTTTATCACAGATACCCTGTCAAAGGGTGAGACAAAGTTCATGGGTGTTTGCCAG
CTTCCCAGTAAAAATGATGAAAAAGAATATCCACACAGAAGAATTGATATCAGGTTGATA
CCCAAAGATCAGTATTACTGTGGTGTTCTCTATTTCACTGGGAGTGATATTTTCAATAAG
AATATGAGGGCTCATGCCCTAGAAAAGGGTTTCACAATCAATGAGTACACCATCCGTCCC
TTGGGAGTCACTGGAGTTGCAGGAGAACCCCTGCCAGTGGATAGTGAAAAAGACATCTTT
GATTACATCCAGTGGAAATACCGGGAACCCAAGGACCGGAGCGAATGA
component
cell
component
intracellular
function
DNA-directed DNA polymerase activity
function
transferase activity, transferring phosphorus-containing groups
function
nucleic acid binding
function
binding
function
DNA binding
function
catalytic activity
function
beta DNA polymerase activity
function
nucleotidyltransferase activity
function
transferase activity
process
DNA repair
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
DNA replication
process
DNA metabolism
process
metabolism
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