| Phytochemical Name : Bergapten |
| PCNDIDB0051 |
| Pubchem CID : 2355 |
| Molecular formula: C12H8O4 |
| Canonical SMILES : COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
Synonymes : Bergapten|5-Methoxypsoralen|484-20-8|bergaptene|Heraclin|Majudin|4-Methoxy-7H-furo[3,2-g]chromen-7-one|BERGAPTAN|Psoraderm|5-Mop|O-Methylbergaptol|5-Methoxy psoralen|5-Methoxy-6,7-furanocoumarin|5-Methoxyfuranocoumarin|4-methoxyfuro[3,2-g]chromen-7-one|Geralen|Pentaderm|7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-|5 methoxypsoralen|4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one|5-methoxypsoralene|4-Methoxyfuro[3,2-g]benzopyran-7-one|NSC 95437|CCRIS 4348|HSDB 3466|EINECS 207-604-5|UNII-4FVK84C92X|NSC-95437|Bergaptene (DCF)|6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone|BRN 0019560|4FVK84C92X|7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-|DTXSID1025560|5-Methoxypsoralen with ultraviolet A therapy|NSC95437|4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one|4-Methoxy-furo[3,2-g]chromen-7-one|4-Methoxyfuro[3,2-g]benzopyrane-7-one|CHEMBL24171|DTXCID305560|CHEBI:18293|5-19-06-00004 (Beilstein Handbook Reference)|5-METHOXYPSORALEN (IARC)|5-METHOXYPSORALEN [IARC]|5-METHOXYPSORALEN (MART.)|5-METHOXYPSORALEN [MART.]|CAS-484-20-8|SMR000112435|4-methoxy-7H-furo(3,2-g)chromen-7-one|5 Methoxy Psoralen|4-METHOXYFURO(3,2-G)CHROMEN-7-ONE|SR-05000002173|Bergapten(e)|Pentaderm (TN)|5-methoxy-psoralen|MFCD00010272|5-methoxyfurano[3,2-g]chromen-2-one|Spectrum_000794|5-methoxy-2H-furo[3,2-g]chromen-2-one|BERGAPTEN [MI]|Spectrum2_000534|Spectrum3_000663|Spectrum4_001478|Spectrum5_000155|5-Methoxypsoralen, 99%|5-Methoxypsoralen;Heraclin|bmse000758|D0QR5G|5-Methoxypsoralen (obsol.)|7H-Furo[3, 4-methoxy-|Oprea1_562364|SCHEMBL50066|BSPBio_002325|KBioGR_002055|KBioSS_001274|SPECTRUM300546|MLS002207272|MLS002454380|Bergapten, analytical standard|DivK1c_000529|SPBio_000547|MEGxp0_000990|ACon0_000984|ACon1_001979|GTPL12431|HMS501K11|KBio1_000529|KBio2_001274|KBio2_003842|KBio2_006410|KBio3_001545|NINDS_000529|HMS1923G13|HMS2268M24|HMS3652F19|Pharmakon1600-00300546|5-METHOXYPSORALEN [WHO-DD]|BCP30865|HY-N0370|TNP00299|Tox21_202357|Tox21_303255|BDBM50067880|CCG-39946|NSC755877|s4239|STK333038|AKOS000276715|DB12216|DS-2970|LS-1292|NSC-755877|SDCCGMLS-0066492.P001|IDI1_000529|NCGC00017357-01|NCGC00017357-02|NCGC00017357-03|NCGC00017357-04|NCGC00017357-05|NCGC00017357-06|NCGC00017357-07|NCGC00017357-08|NCGC00091582-01|NCGC00091582-02|NCGC00091582-03|NCGC00091582-04|NCGC00178705-01|NCGC00178705-02|NCGC00256998-01|NCGC00259906-01|AC-20189|AC-34208|NCI60_042121|SBI-0051583.P002|4-Methoxy-7H-furo[3,2-g]benzopyran-7-one|B2840|FT-0603416|SW220008-1|4-Methoxy-7H-furo[3,2-g]chromen-7-one #|C01557|D07521|AB00052148_06|AB00052148_07|A827532|Q414779|Q-100536|SR-05000002173-2|SR-05000002173-3|SR-05000002173-5|BRD-K12968785-001-02-6|BRD-K12968785-001-03-4|BRD-K12968785-001-06-7|BRD-K12968785-001-11-7|6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.290 |
| Log Po/w (XLOGP3) : 1.930 |
| Log Po/w (WLOGP) : 2.550 |
| Log Po/w (MLOGP) : 1.180 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.160 |

