Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01816"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"(1s,6s,7r,8r,8ar)-1,6,7,8-Tetrahydroxyindolizidine"
|
| drugbank:description |
"
79831-76-8
experimental
This compound belongs to the indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.
Indolizidines
Organic Compounds
Heterocyclic Compounds
Indolizidines
Piperidines
Pyrrolidines
Tertiary Amines
1,2-Diols
Secondary Alcohols
Polyamines
piperidine
pyrrolidine
tertiary amine
secondary alcohol
polyol
1,2-diol
polyamine
amine
alcohol
organonitrogen compound
logP
-2.1
ALOGPS
logS
0.77
ALOGPS
Water Solubility
1.11e+03 g/l
ALOGPS
logP
-2.6
ChemAxon
IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
ChemAxon
Traditional IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
ChemAxon
Molecular Weight
189.209
ChemAxon
Monoisotopic Weight
189.100107973
ChemAxon
SMILES
O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]12
ChemAxon
Molecular Formula
C8H15NO4
ChemAxon
InChI
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
ChemAxon
InChIKey
InChIKey=JDVVGAQPNNXQDW-QYYLWSOASA-N
ChemAxon
Polar Surface Area (PSA)
84.16
ChemAxon
Refractivity
44.44
ChemAxon
Polarizability
18.68
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.89
ChemAxon
pKa (strongest basic)
8.96
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
11063191
PubChem Substance
46507978
KEGG Compound
C02256
ChemSpider
2494
PDB
CTS
BE0001345
Glucan 1,3-beta-glucosidase
Yeast
# 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
unknown
Glucan 1,3-beta-glucosidase
Carbohydrate transport and metabolism
Beta-glucanases participate in the metabolism of beta- glucan, the main structural component of the cell wall. It could also function biosynthetically as a transglycosylase
XOG1
Secreted protein
None
5.37
50022.0
Yeast
GenBank Gene Database
X56556
GenBank Protein Database
578126
UniProtKB
P29717
UniProt Accession
EXG_CANAL
EC 3.2.1.58
Exo-1,3-beta- glucanase
Glucan 1,3-beta-glucosidase precursor
>Glucan 1,3-beta-glucosidase precursor
MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGG
WFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAALRILQKHWSTWITEQDFKQ
ISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQN
GFDNSGLRDSYNSQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDK
LKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGE
LSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPY
IGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNG
LFPQPVTDRQFPNQCGFH
>1317 bp
ATGCAGTTATCATTTATCTTAACATCATCGGTATTTATATTATTGCTTGAATTTGTTAAA
GCCCTGGTTATTTCTAATCCATTTAAACCAAATGGAAACTTGAAATTCAAGAGAGGAGGC
GGACATAATGTTGCTTGGGATTATGATAATAATGTTATCAGAGGTGTCAATTTGGGTGGT
TGGTTTGTCCTTGAACCATATATGACACCATCACTTTTTGAACCATTCCAAAATGGAAAT
GATCAGTCTGGAGTTCCAGTTGACGAATATCACTGGACACAAACTTTGGGTAAGGAAGCT
GCTCTGAGAATTTTGCAAAAACATTGGAGTACTTGGATCACTGAACAAGACTTTAAACAA
ATTAGTAATTTGGGATTGAACTTTGTTCGTATTCCTATTGGTTATTGGGCTTTCCAATTG
TTGGATAATGATCCATACGTCCAAGGTCAAGTTCAGTATTTGGAAAAGGCTTTGGGCTGG
GCCAGAAAGAATAATATCAGAGTTTGGATTGATTTGCACGGTGCACCAGGCTCTCAAAAT
GGGTTTGACAACTCCGGTTTAAGAGATAGCTACAATTTCCAAAACGGTGATAACACCCAA
GTTACTTTGAATGTATTGAATACTATTTTCAAAAAGTATGGTGGCAACGAATACTCTGAC
GTTGTTATTGGTATTGAATTGCTTAATGAACCATTGGGTCCAGTTTTGAATATGGATAAA
TTGAAACAATTTTTCTTGGATGGTTACAACTCTCTTAGACAAACTGGATCAGTCACCCCA
GTTATCATTCACGATGCTTTCCAAGTCTTTGGCTATTGGAATAACTTTTTGACTGTTGCT
GAAGGTCAATGGAATGTTGTTGTTGACCATCATCATTACCAAGTGTTTTCCGGTGGTGAA
TTATCTCGTAACATTAACGACCACATTTCAGTTGCTTGTAACTGGGGTTGGGATGCTAAA
AAGGAATCCCATTGGAACGTCGCTGGTGAATGGTCTGCTGCTTTGACAGATTGTGCTAAA
TGGTTGAATGGTGTCAACAGAGGAGCACGTTATGAGGGTGCTTACGATAATGCTCCATAC
ATTGGATCCTGTCAACCATTGTTGGATATTTCCCAATGGTCTGATGAACACAAAACCGAC
ACAAGAAGATACATTGAGGCTCAATTGGATGCTTTTGAATACACTGGAGGCTGGGTCTTC
TGGAGTTGGAAGACTGAAAATGCCCCTGAATGGAGTTTCCAAACCTTGACTTACAATGGT
CTTTTCCCACAACCAGTTACTGATAGACAATTCCCAAACCAATGTGGCTTTCACTGA
PF00150
Cellulase
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object