Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04803"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Verdoheme"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
Substituted Pyrroles
Organic Compounds
Heterocyclic Compounds
Pyrroles
Substituted Pyrroles
Polyamines
Enolates
Carboxylic Acids
carboxylic acid derivative
enolate
carboxylic acid
polyamine
organonitrogen compound
logP
6.06
ALOGPS
logS
-5.8
ALOGPS
Water Solubility
1.22e-03 g/l
ALOGPS
logP
7.26
ChemAxon
IUPAC Name
iron(4+) ion 10-(2-carboxyethyl)-5,19-diethenyl-4,9,18-trimethyl-15-(prop-1-en-2-yl)-2$l^{4}-oxa-14,20,21,22-tetraazatetracyclo[15.2.1.1^{3,6}.1^{8,11}]docosa-1,3(22),4,6,8,10,12,14,16,18-decaen-2-ylium-20,21-diide
ChemAxon
Traditional IUPAC Name
iron(4+) ion 10-(2-carboxyethyl)-5,19-diethenyl-4,9,18-trimethyl-15-(prop-1-en-2-yl)-2$l^{4}-oxa-14,20,21,22-tetraazatetracyclo[15.2.1.1^{3,6}.1^{8,11}]docosa-1,3(22),4,6,8,10,12,14,16,18-decaen-2-ylium-20,21-diide
ChemAxon
Molecular Weight
549.421
ChemAxon
Monoisotopic Weight
549.158907947
ChemAxon
SMILES
[Fe+4].CC(=C)\C1=N\C=C/C2=C(CCC(O)=O)C(C)=C([N-]2)\C=C2/N=C(/[O+]=C3\[N-]\C(=C/1)C(C)=C3C=C)C(C)=C2C=C
ChemAxon
Molecular Formula
C30H29FeN4O3
ChemAxon
InChI
InChI=1S/C30H30N4O3.Fe/c1-8-20-19(7)29-34-27(20)15-25-18(6)22(10-11-28(35)36)23(32-25)12-13-31-24(16(3)4)14-26-17(5)21(9-2)30(33-26)37-29;/h8-9,12-15H,1-3,10-11H2,4-7H3,(H2-,31,32,33,34,35,36);/q;+4/p-1
ChemAxon
InChIKey
InChIKey=QNHRNHLUNLNYAK-UHFFFAOYSA-M
ChemAxon
Polar Surface Area (PSA)
102
ChemAxon
Refractivity
149.89
ChemAxon
Polarizability
57.22
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
3.76
ChemAxon
pKa (strongest basic)
4.58
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
23644280
PubChem Substance
46506747
PDB
VER
BE0000735
Heme oxygenase 1
Human
unknown
Heme oxygenase 1
Involved in heme oxygenase (decyclizing) activity
Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed
HMOX1
22q12|22q13.1
Microsome
265-287
8.68
32819.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:5013
GenAtlas
HMOX1
GeneCards
HMOX1
GenBank Gene Database
X06985
GenBank Protein Database
35173
UniProtKB
P09601
UniProt Accession
HMOX1_HUMAN
EC 1.14.99.3
HO-1
>Heme oxygenase 1
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVA
LEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHE
VGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQ
LYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRA
SNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
>867 bp
ATGGAGCGTCCGCAACCCGACAGCATGCCCCAGGATTTGTCAGAGGCCCTGAAGGAGGCC
ACCAAGGAGGTGCACACCCAGGCAGAGAATGCTGAGTTCATGAGGAACTTTCAGAAGGGC
CAGGTGACCCGAGACGGCTTCAAGCTGGTGATGGCCTCCCTGTACCACATCTATGTGGCC
CTGGAGGAGGAGATTGAGCGCAACAAGGAGAGCCCAGTCTTCGCCCCTGTCTACTTCCCA
GAAGAGCTGCACCGCAAGGCTGCCCTGGAGCAGGACCTGGCCTTCTGGTACGGGCCCCGC
TGGCAGGAGGTCATCCCCTACACACCAGCCATGCAGCGCTATGTGAAGCGGCTCCACGAG
GTGGGGCGCACAGAGCCCGAGCTGCTGGTGGCCCACGCCTACACCCGCTACCTGGGTGAC
CTGTCTGGGGGCCAGGTGCTCAAAAAGATTGCCCAGAAAGCCCTGGACCTGCCCAGCTCT
GGCGAGGGCCTGGCCTTCTTCACCTTCCCCAACATTGCCAGTGCCACCAAGTTCAAGCAG
CTCTACCGCTCCCGCATGAACTCCCTGGAGATGACTCCCGCAGTCAGGCAGAGGGTGATA
GAAGAGGCCAAGACTGCGTTCCTGCTCAACATCCAGCTCTTTGAGGAGTTGCAGGAGCTG
CTGACCCATGACACCAAGGACCAGAGCCCCTCACGGGCACCAGGGCTTCGCCAGCGGGCC
AGCAACAAAGTGCAAGATTCTGCCCCCGTGGAGACTCCCAGAGGGAAGCCCCCACTCAAC
ACCCGCTCCCAGGCTCCGCTTCTCCGATGGGTCCTTACACTCAGCTTTCTGGTGGCGACA
GTTGCTGTAGGGCTTTATGCCATGTGA
PF01126
Heme_oxygenase
function
oxidoreductase activity
function
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
function
heme oxygenase (decyclizing) activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
heterocycle metabolism
process
porphyrin metabolism
process
heme metabolism
process
heme oxidation
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object