Metabolite alpha-noroxycodol

Name
alpha-noroxycodol
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 303.3529
Monoisotopic: 303.147058165
Chemical Formula
C17H21NO4
InChI Key
KFWOOLJUSYSBAD-NZQXGWJPSA-N
InChI
InChI=1S/C17H21NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,10,12,15,18-20H,4-8H2,1H3/t10-,12+,15-,16-,17+/m0/s1
IUPAC Name
(1S,5R,13R,14S,17S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-triene-14,17-diol
SMILES
Reactions
Human Metabolome Database
HMDB0061074
ChemSpider
30778622
Predicted Properties
PropertyValueSource
Water Solubility12.3 mg/mLALOGPS
logP0.52ALOGPS
logP0.24ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)13.48ChemAxon
pKa (Strongest Basic)9.59ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area70.95 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity79.64 m3·mol-1ChemAxon
Polarizability31.41 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon