Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07886"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.
Gluco/mineralocorticoids, Progestogins and Derivatives
Organic Compounds
Lipids
Steroids and Steroid Derivatives
Gluco/mineralocorticoids, Progestogins and Derivatives
Ketosteroids
Hydroxysteroids
Cyclohexanols
Tertiary Alcohols
Ketones
Cyclic Alcohols and Derivatives
Enolates
Polyamines
Primary Alcohols
Aldehydes
3-keto-steroid
11-hydroxy-steroid
17-hydroxy-steroid
20-keto-steroid
cyclohexanol
tertiary alcohol
cyclic alcohol
secondary alcohol
ketone
primary alcohol
enolate
polyamine
alcohol
carbonyl group
aldehyde
logP
1.79
ALOGPS
logS
-3.3
ALOGPS
Water Solubility
1.99e-01 g/l
ALOGPS
logP
1.28
ChemAxon
IUPAC Name
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
ChemAxon
Traditional IUPAC Name
hydrocortisone
ChemAxon
Molecular Weight
362.4599
ChemAxon
Monoisotopic Weight
362.20932407
ChemAxon
SMILES
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
ChemAxon
Molecular Formula
C21H30O5
ChemAxon
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
ChemAxon
InChIKey
InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N
ChemAxon
Polar Surface Area (PSA)
94.83
ChemAxon
Refractivity
97.4
ChemAxon
Polarizability
39.55
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
12.58
ChemAxon
pKa (strongest basic)
-2.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5754
PubChem Substance
99444357
ChemSpider
5551
PDB
HCY
BE0000209
Corticosteroid-binding globulin
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
Corticosteroid-binding globulin
Involved in serine-type endopeptidase inhibitor activity
Major transport protein for glucocorticoids and progestins in the blood of almost all vertebrate species
SERPINA6
14q32.1
Secreted protein
None
5.94
45141.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1540
GenAtlas
SERPINA6
GeneCards
SERPINA6
GenBank Gene Database
J02943
GenBank Protein Database
179971
UniProtKB
P08185
UniProt Accession
CBG_HUMAN
CBG
Corticosteroid-binding globulin precursor
Serpin A6
Transcortin
>Corticosteroid-binding globulin precursor
MPLLLYTCLLWLPTSGLWTVQAMDPNAAYVNMSNHHRGLASANVDFAFSLYKHLVALSPK
KNIFISPVSISMALAMLSLGTCGHTRAQLLQGLGFNLTERSETEIHQGFQHLHQLFAKSD
TSLEMTMGNALFLDGSLELLESFSADIKHYYESEVLAMNFQDWATASRQINSYVKNKTQG
KIVDLFSGLDSPAILVLVNYIFFKGTWTQPFDLASTREENFYVDETTVVKVPMMLQSSTI
SYLHDSELPCQLVQMNYVGNGTVFFILPDKGKMNTVIAALSRDTINRWSAGLTSSQVDLY
IPKVTISGVYDLGDVLEEMGIADLFTNQANFSRITQDAQLKSSKVVHKAVLQLNEEGVDT
AGSTGVTLNLTSKPIILRFNQPFIIMIFDHFTWSSLFLARVMNPV
>1218 bp
ATGCCACTCCTCCTGTACACCTGTCTTCTCTGGCTGCCCACCAGCGGCCTCTGGACCGTC
CAGGCCATGGATCCTAACGCTGCTTATGTGAACATGAGTAACCATCACCGGGGCCTGGCT
TCAGCCAACGTTGACTTTGCCTTCAGCCTGTATAAGCACCTAGTGGCCTTGAGTCCCAAA
AAGAACATTTTCATCTCCCCTGTGAGCATCTCCATGGCCTTAGCTATGCTGTCCCTGGGC
ACCTGTGGCCACACACGGGCCCAGCTTCTCCAGGGCCTGGGTTTCAACCTCACTGAGAGG
TCTGAGACTGAGATCCACCAGGGTTTCCAGCACCTGCACCAACTCTTTGCAAAGTCAGAC
ACCAGCTTAGAAATGACTATGGGCAATGCCTTGTTTCTTGATGGCAGCCTGGAGTTGCTG
GAGTCATTCTCAGCAGACATCAAGCACTACTATGAGTCAGAGGTCTTGGCTATGAATTTC
CAGGACTGGGCAACAGCCAGCAGACAGATCAACAGCTATGTCAAGAATAAGACACAGGGG
AAAATTGTCGACTTGTTTTCAGGGCTGGATAGCCCAGCCATCCTCGTCCTGGTCAACTAT
ATCTTCTTCAAAGGCACATGGACACAGCCCTTTGACCTGGCAAGCACCAGGGAGGAGAAC
TTCTATGTGGACGAGACAACTGTGGTGAAGGTGCCCATGATGTTGCAGTCGAGCACCATC
AGTTACCTTCATGACTCAGAGCTCCCCTGCCAGCTGGTGCAGATGAACTACGTGGGCAAT
GGGACTGTCTTCTTCATCCTTCCGGACAAGGGGAAGATGAACACAGTCATCGCTGCACTG
AGCCGGGACACGATTAACAGGTGGTCCGCAGGCCTGACCAGCAGCCAGGTGGACCTGTAC
ATTCCAAAGGTCACCATCTCTGGAGTCTATGACCTTGGAGATGTGCTGGAGGAAATGGGC
ATTGCAGACTTGTTCACCAACCAGGCAAATTTCTCACGCATCACCCAGGACGCCCAGCTG
AAGTCATCAAAGGTGGTCCATAAAGCTGTGCTGCAACTCAATGAGGAGGGTGTGGACACA
GCTGGCTCCACTGGGGTCACCCTAAACCTGACGTCCAAGCCTATCATCTTGCGTTTCAAC
CAGCCCTTCATCATCATGATCTTCGACCACTTCACCTGGAGCAGCCTTTTCCTGGCGAGG
GTTATGAACCCAGTGTAA
PF00079
Serpin
function
enzyme inhibitor activity
function
protease inhibitor activity
function
endopeptidase inhibitor activity
function
serine-type endopeptidase inhibitor activity
function
enzyme regulator activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object