Bergapten


PubChem CID 2355
Molecular Formula C12H8O4
Structure Compound Image
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

Computed Descriptors


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

Computed Properties

Show more
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

Annotation

  • D - Dermatologicals
  • D05 - Antipsoriatics
  • D05B - Antipsoriatics for systemic use
  • D05BA - Psoralens for systemic use|D000893 - Anti-Inflammatory Agents|D003879 - Dermatologic Agents|D011838 - Radiation-Sensitizing Agents
  • D017319 - Photosensitizing Agents
  • D011564 - Furocoumarins
  • 2 pairs of Verified P450 and Bergapten


    Insect Gene Symbol Validation Reference
    Depressaria pastinacella CYP6AE89 E
    Papilio glaucus CYP6B4V1 X