PubChem CID | 2355 |
Molecular Formula | C12H8O4 |
Structure |
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Synonyms |
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 MFCD00010272 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; Bergapten 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 Pentaderm (TN) 5-methoxy-psoralen 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 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 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 SY051831 SBI-0051583.P002 DB-051552 4-Methoxy-7H-furo[3,2-g]benzopyran-7-one B2840 NS00015832 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 BRD-K12968785-001-12-5 BRD-K12968785-001-13-3 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H |
IUPAC Name | 4-methoxyfuro[3,2-g]chromen-7-one |
SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
Canonical SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
InChI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
InChIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
Molecular Weight | 216.19 g/mol |
XLogP3 | 2.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 216.042 |
Monoisotopic Mass | 216.042 |
Topological Polar Surface Area | 48.7 |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 325 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Depressaria pastinacella | CYP6AE89 | E | |
Papilio glaucus | CYP6B4V1 | X |