Metabolite 11-Nor-9-carboxy-THC (THC-COOH)

Name
11-Nor-9-carboxy-THC (THC-COOH)
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 674.919
Monoisotopic: 674.418254208
Chemical Formula
C42H58O7
InChI Key
CLTPUHBYBKHTOT-UHFFFAOYSA-N
InChI
InChI=1S/C21H28O4.C21H30O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13;1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24);10-12,16-17,22-23H,4-9,13H2,1-3H3
IUPAC Name
1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid; 9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol
SMILES
CCCCCC1=CC(O)=C2C3C=C(CO)CCC3C(C)(C)OC2=C1.CCCCCC1=CC(O)=C2C3C=C(CCC3C(C)(C)OC2=C1)C(O)=O
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00839 mg/mLALOGPS
logP5.24ALOGPS
logP5.14ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)4.02ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity98.45 m3·mol-1ChemAxon
Polarizability39.41 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon