| Phytochemical Name : Homobaldrinal |
| PCNDIDH0051 |
| Pubchem CID : 49999 |
| Molecular formula: C15H16O4 |
| Canonical SMILES : CC(C)CC(=O)OCC1=COC=C2C1=CC=C2C=O |
Synonymes : Homobaldrinal|67910-07-0|(7-formylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate|CCRIS 2664|D5Y2TR4PC7|BUTANOIC ACID, 3-METHYL-, (7-FORMYLCYCLOPENTA(c)PYRAN-4-YL)METHYL ESTER|(7-FORMYLCYCLOPENTA(C)PYRAN-4-YL)METHYL 3-METHYLBUTANOATE|{7-FORMYLCYCLOPENTA[C]PYRAN-4-YL}METHYL 3-METHYLBUTANOATE|UNII-D5Y2TR4PC7|SCHEMBL11484251|CHEBI:80747|DTXSID40218127|AKOS015897148|LS-46357|XH178327|HY-121345|CS-0081509|Q27149800 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 2.390 |
| Log Po/w (WLOGP) : 3.130 |
| Log Po/w (MLOGP) : 1.320 |
| Log Po/w (SILICOS-IT) : 3.720 |
| Consensus Log Po/w : 2.680 |