| Phytochemical Name : Isoimperatorin |
| PCNDIDI0079 |
| Pubchem CID : 68081 |
| Molecular formula: C16H14O4 |
| Canonical SMILES : CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C |
Synonymes : Isoimperatorin|482-45-1|Iso-imperatorin|Iso Imperatorin|4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one|4-PRENYLOXYPSORALEN|UNII-0ZMV066080|CHEBI:66071|4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one|0ZMV066080|CHEMBL448060|HSDB 8496|4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one|DTXSID60197460|7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-|7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one|SMR000156243|Auraptin|Cnidin|4-((3-methylbut-2-en-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one|7,4-((3-methyl-2-butenyl)oxy)-7H-furo(3,2-g)-1-benzopyran-7-one|7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-|7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-|Oprea1_630212|Oprea1_655950|MLS000574919|MLS001048978|MEGxp0_000090|SCHEMBL15090959|ACon1_000176|DTXCID70119951|HMS2268M21|Isoimperatorin, analytical standard|BCP10721|HY-N0286|BDBM50242377|MFCD00272155|s3904|STL564896|AKOS015895143|AC-8047|CCG-267156|CS-5801|NCGC00180809-01|BS-17328|FT-0656369|A14550|C16976|A871937|Q-100533|Q1552561|BRD-K40367461-001-01-0|4-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one|4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #|4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one|7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-|4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.070 |
| Log Po/w (XLOGP3) : 3.430 |
| Log Po/w (WLOGP) : 3.880 |
| Log Po/w (MLOGP) : 2.140 |
| Log Po/w (SILICOS-IT) : 3.990 |
| Consensus Log Po/w : 3.300 |