| Phytochemical Name : Xanthoxyletin |
| PCNDIDX0010 |
| Pubchem CID : 66548 |
| Molecular formula: C15H14O4 |
| Canonical SMILES : CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
Synonymes : Xanthoxyletin|84-99-1|Xanthoxylin N|5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one|Xanthoxyloin|UNII-69MPX4M5VD|69MPX4M5VD|NSC 35542; Xanthoxylin N|CHEBI:69929|NSC 35542|NSC-35542|5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one|XANTHOXYLETIN [MI]|MLS000876794|CHEMBL501358|MEGxp0_001370|SCHEMBL5793283|ACon1_000545|DTXSID70232891|HMS2269F07|HY-N1065|NSC35542|BDBM50428432|AKOS032962595|NCGC00168976-01|NCI60_003203|SMR000440571|XX163678|CS-0016348|5-methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one|BRD-K28556256-001-01-3|Q27138273|2H,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-|2-Propenoic acid,2-dimethyl-2H-1-benzopyran-6-yl)-, .delta.-lactone|2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-|5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one,9CI|NCGC00168976-02!5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one|7-HYDROXY-5-METHOXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-ACRYLIC ACID .DELTA.-LACTONE|7-Hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-acrylic Acid delta-Lactone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.940 |
| Log Po/w (XLOGP3) : 2.800 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.040 |
| Log Po/w (SILICOS-IT) : 3.330 |
| Consensus Log Po/w : 2.800 |

