Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03219"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"11-Deoxy-Beta-Rhodomycin"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
Anthracyclines
Organic Compounds
Phenylpropanoids and Polyketides
Anthracyclines
Trihexoses
Tetracenequinones
Anthraquinones
O-glycosyl Compounds
Amino Sugars
Tetralins
Phenols and Derivatives
Oxanes
Tertiary Alcohols
Ketones
Secondary Alcohols
Tertiary Amines
1,2-Diols
Dialkyl Ethers
Enols
Acetals
Polyamines
tetracenequinone
9,10-anthraquinone
1,4-anthraquinone
trisaccharide
anthracene
glycosyl compound
o-glycosyl compound
acene
amino sugar
tetralin
phenol derivative
saccharide
benzene
oxane
tertiary alcohol
polyol
secondary alcohol
ketone
tertiary amine
1,2-diol
enol
ether
dialkyl ether
acetal
polyamine
carbonyl group
alcohol
amine
organonitrogen compound
logP
2.74
ALOGPS
logS
-3.4
ALOGPS
Water Solubility
2.92e-01 g/l
ALOGPS
logP
4.05
ChemAxon
IUPAC Name
(7S,8R,10S)-10-{[(2R,4R,5S,6R)-4-(dimethylamino)-5-{[(2S,4R,5R,6R)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,7,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
ChemAxon
Traditional IUPAC Name
11-deoxy-β-rhodomycin
ChemAxon
Molecular Weight
769.8312
ChemAxon
Monoisotopic Weight
769.330955345
ChemAxon
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([C@H](O[C@H]3C[C@@H](O)[C@@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@@H]1O)C(=O)C1=CC=CC(O)=C1C3=O
ChemAxon
Molecular Formula
C40H51NO14
ChemAxon
InChI
InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27-,28-,29-,30-,37+,38-,39-,40+/m0/s1
ChemAxon
InChIKey
InChIKey=OQDCVONZQOVIMP-LFGWXRNCSA-N
ChemAxon
Polar Surface Area (PSA)
210.98
ChemAxon
Refractivity
194.22
ChemAxon
Polarizability
81.78
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
15
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.82
ChemAxon
pKa (strongest basic)
8.17
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
7
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936611
PubChem Substance
46505322
PDB
DRA
BE0002526
RdmB
Streptomyces purpurascens
unknown
RdmB
Involved in O-methyltransferase activity
rdmB
None
4.48
39797.0
Streptomyces purpurascens
GenBank Gene Database
U10405
UniProtKB
Q54527
UniProt Accession
Q54527_9ACTO
>RdmB
MSSSSPGEPLEPTDQDLDVLLKNLGNLVTPMALRVAATLRLVDHLLAGADTLAGLADRTD
THPQALSRLVRHLTVVGVLEGGEKQGRPLRPTRLGMLLADGHPAQQRAWLDLNGAVSHAD
LAFTGLLDVVRTGRPAYAGRYGRPFWEDLSADVALADSFDALMSCDEDLAYEAPADAYDW
SAVRHVLDVGGGNGGMLAAIALRAPHLRGTLVELAGPAERARRRFADAGLADRVTVAEGD
FFKPLPVTADVVLLSFVLLNWSDEDALTILRGCVRALEPGGRLLVLDRADVEGDGADRFF
STLLDLRMLTFMGGRVRTRDEVVDLAGSAGLALASERTSGSTTLPFDFSILEFTAVSEEA
APAAQASEALPAQE
>1125 bp
GTGAGCTCTTCCTCACCCGGGGAACCCCTGGAACCGACCGACCAGGACCTCGACGTACTC
CTGAAGAACCTCGGCAATCTGGTGACCCCGATGGCCCTGAGGGTCGCCGCGACACTCCGC
CTGGTCGATCACCTGCTGGCCGGAGCCGACACCCTCGCCGGCCTCGCCGACCGTACGGAC
ACCCATCCCCAGGCGCTCTCCCGCCTGGTCCGGCACCTGACCGTCGTCGGCGTCCTGGAG
GGCGGCGAGAAGCAGGGCCGGCCGCTGCGCCCCACCCGGCTCGGGATGCTCCTCGCCGAC
GGCCACCCGGCCCAGCAGCGGGCCTGGCTGGACCTGAACGGGGCCGTCTCCCACGCCGAC
CTGGCCTTCACCGGGCTCCTCGACGTGGTCCGCACCGGCCGCCCCGCCTACGCCGGGCGG
TACGGGCGGCCCTTCTGGGAGGACCTCTCGGCGGACGTGGCGCTGGCCGACTCCTTCGAC
GCGCTCATGTCCTGCGACGAGGACCTGGCCTACGAGGCCCCGGCCGACGCGTACGACTGG
TCGGCGGTCCGGCACGTCCTCGACGTGGGCGGCGGCAACGGCGGCATGCTCGCGGCGATC
GCCCTGCGGGCCCCGCACCTGCGCGGCACCCTGGTCGAACTGGCCGGTCCCGCCGAGCGC
GCCCGGCGCAGGTTCGCGGACGCCGGTCTGGCCGACCGGGTCACGGTGGCGGAGGGCGAC
TTCTTCAAGCCGCTGCCCGTCACCGCCGACGTCGTCCTGCTGTCGTTCGTCCTGCTCAAC
TGGTCCGACGAGGACGCGCTGACGATCCTGCGCGGCTGCGTCAGGGCGCTGGAGCCGGGA
GGCAGGCTCCTGGTCCTCGACCGTGCCGATGTCGAGGGGGACGGCGCCGACCGGTTCTTC
AGCACGCTGCTCGACCTGCGGATGCTGACGTTCATGGGCGGACGGGTGCGCACCCGGGAC
GAGGTCGTGGACCTGGCCGGATCGGCCGGACTCGCCCTGGCCTCGGAGCGCACGAGCGGC
TCCACGACCCTCCCGTTCGACTTCTCGATCCTCGAGTTCACGGCCGTCTCCGAGGAAGCG
GCCCCGGCCGCCCAGGCCTCCGAAGCCCTCCCAGCACAGGAGTAG
PF00891
Methyltransf_2
function
transferase activity, transferring one-carbon groups
function
methyltransferase activity
function
O-methyltransferase activity
function
catalytic activity
function
transferase activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object