Results for:
PubChem ID: 634584

1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline

Compound Details

Synonymous names
1-(3,4-Diethoxybenzyl)-6,7-diisopropoxy-isoquinoline
SCHEMBL2460329
OUYDQUYVGBGFKZ-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline
SMILESCCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC(C)C)OC(C)C)OCC
InchiInChI=1S/C26H33NO4/c1-7-28-23-10-9-19(14-24(23)29-8-2)13-22-21-16-26(31-18(5)6)25(30-17(3)4)15-20(21)11-12-27-22/h9-12,14-18H,7-8,13H2,1-6H3
FormulaC26H33NO4
PubChem ID634584
Molweight423.5
LogP6.3
Atoms31
Bonds10
H-bond Acceptor5
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids ethers heterocyclic compounds isoquinolines nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno