| Phytochemical Name : Angelicin |
| PCNDIDA0137 |
| Pubchem CID : 10658 |
| Molecular formula: C11H6O3 |
| Canonical SMILES : C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
Synonymes : Angelicin|523-50-2|ISOPSORALEN|2H-Furo[2,3-H]chromen-2-one|furo[2,3-h]chromen-2-one|Angecin|2-Oxo-(2H)-furo(2,3-h)-1-benzopyran|Furo(2,3-h)coumarin|Isopsoralin|2H-Furo[2,3-H]-1-benzopyran-2-one|Angelicin (coumarin derivative)|Angelicin (coumarin deriv)|Angelecin|CCRIS 4276|Furo(5',4':7,8)coumarin|NSC 404563|2H-Furo(2,3-H)-1-benzopyran-2-one|HSDB 3554|UNII-CZZ080D7BD|CZZ080D7BD|4-Hydroxy-5-benzofuranacrylic acid gamma-lactone|BRN 0153970|CHEBI:28928|3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone|NSC-404563|2H-Furo(2,3-h)(1)benzopyran-2-one|CHEMBL53569|Furo[5',4':7,8]coumarin|2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone|DTXSID00200321|5-19-04-00447 (Beilstein Handbook Reference)|Furo[2,3-h]coumarin|2H-furo(2,3-h)chromen-2-one|Isopsoralen,(S)|MFCD00064930|Furo[5',8]coumarin|Angelicin (Isopsoralen)|ISOPSORALEN [HSDB]|D01OLO|D0S5KN|Oprea1_022970|Angelicin, analytical standard|SCHEMBL376379|Furo(5',4',7,8)coumarin|Furo[2,3-h]benzopyran-2-one|NIOSH/LV0940100|pyrano[6,5-e]benzofuran-2-one|DTXCID00122812|2-furo[2,3-h][1]benzopyranone|HMS1645D18|BCP29934|HY-N0763|2H-Furo[2,3-H]chromen-2-one #|BDBM50331545|NSC404563|s3892|STL564561|AKOS006281380|Angelicin plus ultraviolet A radiation|CCG-266471|CS-3754|Furo[2,3-h]chromen-2-one(angelicin)|NCGC00388372-01|AC-33978|AS-35334|LS-70688|FT-0603446|LV09401000|A12198|C09060|EN300-6730963|A829042|4-Hydroxy-5-benzofuranacrylic acid .gamma.-lactone|Angelicin plus ultraviolet A radiation [Angelicins]|Q-100592|Q2849857|Isopsoralen pound>>2-Oxo-(2H)-furo(2,3-h)-1-benzopyran|3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid .gamma.-lactone|2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone|2H-Furo(2,3-h)(1)benzopyran-2-one, plus ultraviolet A radiation |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.030 |
| Log Po/w (XLOGP3) : 2.080 |
| Log Po/w (WLOGP) : 2.540 |
| Log Po/w (MLOGP) : 1.480 |
| Log Po/w (SILICOS-IT) : 2.910 |
| Consensus Log Po/w : 2.210 |

