Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02914"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(6e)-6-[(2e,4e,6e)-3,7-Dimethylnona-2,4,6,8-Tetraenylidene]-1,5,5-Trimethylcyclohexene"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.
Sesquiterpenes
Organic Compounds
Lipids
Prenol Lipids
Sesquiterpenes
Polyamines
Cycloalkenes
cyclic olefin
cycloalkene
polyamine
olefin
hydrocarbon
logP
6.81
ALOGPS
logS
-5.1
ALOGPS
Water Solubility
2.23e-03 g/l
ALOGPS
logP
5.67
ChemAxon
IUPAC Name
(6Z)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ylidene]-1,5,5-trimethylcyclohex-1-ene
ChemAxon
Traditional IUPAC Name
(6Z)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ylidene]-1,5,5-trimethylcyclohex-1-ene
ChemAxon
Molecular Weight
268.4363
ChemAxon
Monoisotopic Weight
268.219100896
ChemAxon
SMILES
C\C(C=C)=C/C=C/C(/C)=C/C=C1\C(C)=CCCC1(C)C
ChemAxon
Molecular Formula
C20H28
ChemAxon
InChI
InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14+
ChemAxon
InChIKey
InChIKey=FWNRILWHNGFAIN-SSHGZYQJSA-N
ChemAxon
Polar Surface Area (PSA)
0
ChemAxon
Refractivity
96.19
ChemAxon
Polarizability
34.41
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
0
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
5352712
PubChem Substance
46507241
ChemSpider
21230613
PDB
ANR
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object