Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07905"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.
Zearalenones
Organic Compounds
Phenylpropanoids and Polyketides
Macrolides and Analogues
Zearalenones
Hydroxybenzoic Acid Derivatives
Methoxyphenols and Derivatives
Anisoles
Alkyl Aryl Ethers
Ketones
Carboxylic Acid Esters
Secondary Alcohols
1,2-Diols
Dialkyl Ethers
Enols
Polyamines
Epoxides
hydroxybenzoic acid
methoxyphenol
phenol ether
anisole
alkyl aryl ether
phenol derivative
benzene
ketone
secondary alcohol
carboxylic acid ester
polyol
1,2-diol
oxirane
ether
dialkyl ether
enol
carboxylic acid derivative
polyamine
carbonyl group
alcohol
logP
0.95
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
1.86e+00 g/l
ALOGPS
logP
1.63
ChemAxon
IUPAC Name
(2R,4R,6S,7S,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.0^{2,4}]nonadeca-1(19),9,15,17-tetraene-8,14-dione
ChemAxon
Traditional IUPAC Name
(2R,4R,6S,7S,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.0^{2,4}]nonadeca-1(19),9,15,17-tetraene-8,14-dione
ChemAxon
Molecular Weight
378.3732
ChemAxon
Monoisotopic Weight
378.13146768
ChemAxon
SMILES
[H][C@@]12C[C@]([H])(O)[C@]([H])(O)C(=O)\C=C/C[C@]([H])(C)OC(=O)C3=C(O)C=C(OC)C=C3[C@@]1([H])O2
ChemAxon
Molecular Formula
C19H22O8
ChemAxon
InChI
InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1
ChemAxon
InChIKey
InChIKey=SSNQAUBBJYCSMY-KNTMUCJRSA-N
ChemAxon
Polar Surface Area (PSA)
125.82
ChemAxon
Refractivity
94.98
ChemAxon
Polarizability
37.57
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
9.47
ChemAxon
pKa (strongest basic)
-3.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
9929643
PubChem Substance
99444376
ChemSpider
8105274
PDB
HMY
BE0000923
Mitogen-activated protein kinase 1
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
Mitogen-activated protein kinase 1
Involved in MAP kinase activity
Involved in both the initiation and regulation of meiosis, mitosis, and postmitotic functions in differentiated cells by phosphorylating a number of transcription factors such as ELK1. Phosphorylates EIF4EBP1; required for initiation of translation. Phosphorylates microtubule-associated protein 2 (MAP2). Phosphorylates SPZ1
MAPK1
22q11.2|22q11.21
None
6.99
41390.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6871
GenAtlas
MAPK1
GeneCards
MAPK1
GenBank Gene Database
M84489
GenBank Protein Database
182191
UniProtKB
P28482
UniProt Accession
MK01_HUMAN
EC 2.7.11.24
ERK-2
ERT1
Extracellular signal-regulated kinase 2
MAP kinase 2
MAPK 2
Mitogen-activated protein kinase 2
p42-MAPK
>Mitogen-activated protein kinase 1
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFE
HQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQH
LSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDH
TGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHI
LGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHK
RIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
>1083 bp
ATGGCGGCGGCGGCGGCGGCGGGCGCGGGCCCGGAGATGGTCCGCGGGCAGGTGTTCGAC
GTGGGGCCGCGCTACACCAACCTCTCGTACATCGGCGAGGGCGCCTACGGCATGGTGTGC
TCTGCTTATGATAATGTCAACAAAGTTCGAGTAGCTATCAAGAAAATCAGCCCCTTTGAG
CACCAGACCTACTGCCAGAGAACCCTGAGGGAGATAAAAATCTTACTGCGCTTCAGACAT
GAGAACATCATTGGAATCAATGACATTATTCGAGCACCAACCATCGAGCAAATGAAAGAT
GTATATATAGTACAGGACCTCATGGAAACAGATCTTTACAAGCTCTTGAAGACACAACAC
CTCAGCAATGACCATATCTGCTATTTTCTCTACCAGATCCTCAGAGGGTTAAAATATATC
CATTCAGCTAACGTTCTGCACCGTGACCTCAAGCCTTCCAACCTGCTGCTCAACACCACC
TGTGATCTCAAGATCTGTGACTTTGGCCTGGCCCGTGTTGCAGATCCAGACCATGATCAC
ACAGGGTTCCTGACAGAATATGTGGCCACACGTTGGTACAGGGCTCCAGAAATTATGTTG
AATTCCAAGGGCTACACCAAGTCCATTGATATTTGGTCTGTAGGCTGCATTCTGGCAGAA
ATGCTTTCCAACAGGCCCATCTTTCCAGGGAAGCATTATCTTGACCAGCTGAATCACATT
TTGGGTATTCTTGGATCCCCATCACAAGAAGACCTGAATTGTATAATAAATTTAAAAGCT
AGGAACTATTTGCTTTCTCTTCCACACAAAAATAAGGTGCCATGGAACAGGCTGTTCCCA
AATGCTGACTCCAAAGCTCTGGACTTATTGGACAAAATGTTGACATTCAACCCACACAAG
AGGATTGAAGTAGAACAGGCTCTGGCCCACCCATATCTGGAGCAGTATTACGACCCGAGT
GACGAGCCCATCGCCGAAGCACCATTCAAGTTCGACATGGAATTGGATGACTTGCCTAAG
GAAAAGCTAAAAGAACTAATTTTTGAAGAGACTGCTAGATTCCAGCCAGGATACAGATCT
TAA
PF00069
Pkinase
function
protein serine/threonine kinase activity
function
receptor signaling protein serine/threonine kinase activity
function
nucleotide binding
function
MAP kinase activity
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
process
biopolymer modification
process
protein modification
process
physiological process
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object