| Phytochemical Name : Auraptene |
| PCNDIDA0236 |
| Pubchem CID : 1550607 |
| Molecular formula: C19H22O3 |
| Canonical SMILES : CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C |
Synonymes : Auraptene|Aurapten|495-02-3|7-Geranyloxycoumarin|UNII-F79I1ZEL2E|F79I1ZEL2E|CCRIS 8835|(E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-|7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one|7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one|7-(geranyloxy)coumarin|SR-01000758940|Feronialactone|7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one|7-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-|2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-|2H-1-BENZOPYRAN-2-ONE, 7-(((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)OXY)-|7-O-geranylumbelliferone|UPCMLD-DP061|7-(3,7-dimethylocta-2,6-dienoxy)-1-benzopyran-2-one|Coumarin, 7-(geranyloxy)-|MLS001049098|SPECTRUM1505176|CHEMBL307341|MEGxp0_000091|SCHEMBL2535029|SCHEMBL2535034|Auraptene, >=98% (HPLC)|UPCMLD-DP061:001|ACon1_000071|CHEBI:93486|DTXSID80897576|CHEBI:134355|HMS2270C13|HMS3886N14|NP344|AMY36802|BCP23751|HY-N2388|BDBM50361373|MFCD00075948|NSC711511|s9052|STL457597|AKOS015969736|CCG-208550|NSC-711511|NCGC00096070-01|NCGC00096070-03|NCGC00096070-04|NCGC00096070-05|NCGC00096070-11|NCGC00168822-01|29527-66-0|AC-34106|SMR000386931|CS-0022591|A871794|Q3629783|SR-01000758940-3|SR-01000758940-4|7-(3,7-Dimethyl-octa-2,6-dienyloxy)-chromen-2-one|7-[(3,7-Dimethyl-2,6-octadienyl)oxy]-(E)-Coumarin|BRD-K85013741-001-05-9|Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-|(E)-7-(3,7-dimethylocta-2,6-dienyloxy)-2H-chromen-2-one|7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one #|7-(3,7-Dimethyl-2,6-octadienyl)oxy-2H-1-benzopyran-2-one, 9CI|7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.960 |
| Log Po/w (XLOGP3) : 5.100 |
| Log Po/w (WLOGP) : 4.860 |
| Log Po/w (MLOGP) : 3.510 |
| Log Po/w (SILICOS-IT) : 5.130 |
| Consensus Log Po/w : 4.510 |