Methoxsalen


PubChem CID 4114
Molecular Formula C12H8O4
Structure Compound Image
Synonyms
methoxsalen
8-Methoxypsoralen
298-81-7
XANTHOTOXIN
Meladinine
Oxypsoralen
8-MOP
9-Methoxy-7H-furo[3,2-g]chromen-7-one
Oxsoralen
Xanthotoxine
Ammoidin
Puvalen
Meladinin
Meloxine
Uvadex
Meladoxen
Ammodin
8-Methoxypsoralene
Methoxa-Dome
New-Meladinin
Zanthotoxin
Puvamet
Oxsoralen-ultra
9-Methoxypsoralen
Geroxalen
Methoxalen
Oxsoralen lotion
Psoralon-MOP
8-Methoxyfuranocoumarin
Proralone-mop
8-MP
O-methylxanthotoxol
Vitpso
Ultra Mop
9-methoxyfuro[3,2-g]chromen-7-one
8-Methoxy-2',3',6,7-furocoumarin
9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one
NCI-C55903
Methoxsalene
Metoxalen
Metoxaleno
8-methoxsalen
8-Methoxy-4',5',6,7-furocoumarin
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-
7-Furocoumarin
Methoxy-8-psoralen
NSC45923
6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone
NSC 45923
8-Methoxy-4',5':6,7-furocoumarin
CCRIS 2083
HSDB 2505
UNII-U4VJ29L7BQ
8-Methoxy-(furano-3'.2':6.7-coumarin)
8-Methoxy-[furano-3'.2':6.7-coumarin]
EINECS 206-066-9
U4VJ29L7BQ
8-methoxy psoralen
NSC-45923
9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
BRN 0196453
DTXSID8020830
7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-
CHEBI:18358
Methoxsalen (Oxsoralen)
9-Methoxy-7H-furo(3,2-g)benzopyran-7-one
SM-88 COMPONENT METHOXSALEN
MFCD00005009
9-Methoxyfuro(3,2-g)chromen-7-one
5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone
CHEMBL416
Oxsoralen Ultra
DTXCID40830
Methoxsalen [USP:BAN:JAN]
8-Methoxy-6,7-furanocoumarin
9-(methyloxy)-7H-furo[3,2-g]chromen-7-one
Psoralen-mop
5-19-06-00015 (Beilstein Handbook Reference)
9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE
Meladinin (VAN)
NCGC00016418-07
CAS-298-81-7
Methoxaten
Oxoralen
METHOXSALEN (IARC)
METHOXSALEN [IARC]
8 Methoxypsoralen
METHOXSALEN (MART.)
METHOXSALEN [MART.]
METHOXSALEN (USP-RS)
METHOXSALEN [USP-RS]
Methoxsalen (USP:BAN:JAN)
1246819-63-5
Deltapsoralen
Dltasoralen
METHOXSALEN (USP MONOGRAPH)
METHOXSALEN [USP MONOGRAPH]
Methoxsalen, 8-
SMR000071170
9-methoxy-7H-furo(3,2-g)chromen-7-one
8-Methoxypsoralen with ultraviolet A therapy
OXSORALEN (TN)
SR-01000629727
Methoxsalen plus ultraviolet radiation
methoxypsoralen
Mopsoralen
Puvasoralen
Oxoralen-Ultra
9-Methoxyfuro[3,2-g][1]benzopyran-7-one
Prestwick_661
9-methoxyfurano[3,2-g]chromen-2-one
Spectrum_001023
ST041029
8-Methoxy(furano-3'.2':6.7-coumarin)
METHOXSALEN [MI]
Prestwick0_000479
Prestwick1_000479
Prestwick2_000479
Prestwick3_000479
Spectrum2_001052
Spectrum3_000499
Spectrum4_000052
Spectrum5_001891
METHOXSALEN [JAN]
UVADEX (TN)
Xanthotoxin (Methoxsalen)
X0009
METHOXSALEN [HSDB]
Methoxsalen (JP17/USP)
METHOXSALEN [VANDF]
8-MOP;Xanthotoxin;Ammoidin
7H-Furo[3, 9-methoxy-
Oprea1_166319
SCHEMBL19168
BSPBio_000618
BSPBio_001997
KBioGR_000543
KBioSS_001503
METHOXSALEN [WHO-DD]
8MO
MLS000062633
MLS002303011
DivK1c_000763
SPECTRUM1500400
SPBio_001004
SPBio_002557
BPBio1_000680
MEGxp0_000095
Xanthotoxin, analytical standard
Methoxsalen (8-Methoxypsoralen)
ACon1_000174
GTPL12457
HMS502G05
KBio1_000763
KBio2_001503
KBio2_004071
KBio2_006639
KBio3_001497
METHOXSALEN [ORANGE BOOK]
8-Methoxy-2',6,7-furocoumarin
8-Methoxy-4',6,7-furocoumarin
NINDS_000763
HMS1569O20
HMS1920N05
HMS2091D20
HMS2096O20
HMS2269P03
HMS3259L13
HMS3655B05
HMS3884K16
Pharmakon1600-01500400
5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone
BCP28212
Tox21_110432
Tox21_201767
Tox21_302816
8-Methoxypsoralen;Xanthotoxin;8-MOP
BDBM50041234
CCG-36366
NSC757114
s1952
STK735539
WLN: T C566 DO LVOJ BO1
8-Methoxypsoralen, analytical standard
AKOS000277012
Tox21_110432_1
9-Methoxy-furo[3,2-g]chromen-7-one
AC-4259
AM84906
CS-1983
DB00553
DS-5159
NC00652
NSC-757114
SDCCGMLS-0042377.P002
IDI1_000763
8-methoxy-2'',3'',6,7-furocoumarin
8-methoxy-4'',5'':6,7-furocoumarin
NCGC00016418-01
NCGC00016418-02
NCGC00016418-03
NCGC00016418-04
NCGC00016418-05
NCGC00016418-06
NCGC00016418-08
NCGC00016418-09
NCGC00016418-10
NCGC00016418-11
NCGC00016418-12
NCGC00016418-14
NCGC00016418-15
NCGC00060938-02
NCGC00060938-03
NCGC00060938-04
NCGC00060938-05
NCGC00060938-06
NCGC00178871-01
NCGC00178871-02
NCGC00178871-03
NCGC00256435-01
NCGC00259316-01
HY-30151
NCI60_004085
8-Methoxy(furano-3',2':6,7-coumarin)
SBI-0051443.P003
NS00004875
SW167762-4
8-methoxy-[furano-3''.2'':6.7-coumarin]
9-Methoxy-7H-furo[3,2-g]chromen-7-one #
EN300-52504
C01864
D00139
AB00052042-14
AB00052042-15
AB00052042_16
AB00052042_17
A820092
Q408570
Q-100381
SR-01000629727-2
SR-01000629727-4
BRD-K63430059-001-03-2
BRD-K63430059-001-06-5
BRD-K63430059-001-09-9
BRD-K63430059-001-16-4
BRD-K63430059-001-17-2
Z754918916
Methoxsalen, United States Pharmacopeia (USP) Reference Standard
5-BENZOFURANACRYLIC ACIDE, 6-HYDROXY-7-METHOXY-, DELTA-LACTONE
12692-94-3

Computed Descriptors


IUPAC Name 9-methoxyfuro[3,2-g]chromen-7-one
SMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Canonical SMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 216.19 g/mol
XLogP3 1.9
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

  • C1420 - Photosensitizing Agent|C274 - Antineoplastic Agent
  • C186664 - Cytotoxic Chemotherapeutic Agent
  • C2842 - DNA Binding Agent|D - Dermatologicals
  • D05 - Antipsoriatics
  • D05A - Antipsoriatics for topical use
  • D05AD - Psoralens for topical use|D - Dermatologicals
  • D05 - Antipsoriatics
  • D05B - Antipsoriatics for systemic use
  • D05BA - Psoralens for systemic use|D003879 - Dermatologic Agents|D011838 - Radiation-Sensitizing Agents
  • D017319 - Photosensitizing Agents
  • D011564 - Furocoumarins|D019995 - Laboratory Chemicals
  • D007202 - Indicators and Reagents
  • D003432 - Cross-Linking Reagents
  • 26 pairs of Verified P450 and Methoxsalen


    Insect Gene Symbol Validation Reference
    Aphis gossypii CYP6CY22 R,D
    Depressaria pastinacella CYP6AE89 E
    Helicoverpa armigera CYP6AE11 C,X
    Helicoverpa armigera CYP6AE12 C,X
    Helicoverpa armigera CYP6AE14 C,X
    Helicoverpa armigera CYP6AE15 C,X
    Helicoverpa armigera CYP6AE16 C,X
    Helicoverpa armigera CYP6AE17 C,X
    Helicoverpa armigera CYP6AE18 C,X
    Helicoverpa armigera CYP6AE19 C,X
    Helicoverpa armigera CYP6AE20 C,X
    Helicoverpa zea CYP321A1 X
    Helicoverpa zea CYP6B8 X
    Papilio polyxenes CYP6B1 X
    Papilio polyxenes CYP6B1 X
    Spodoptera exigua CYP9A10 R
    Spodoptera frugiperda CYP9A24 X
    Spodoptera frugiperda CYP9A28 X
    Spodoptera frugiperda CYP9A29 X
    Spodoptera litura CYP321A10 R
    Spodoptera litura CYP321A12 R
    Spodoptera litura CYP321A15 R
    Spodoptera litura CYP321A7 R
    Spodoptera litura CYP321A8 R
    Spodoptera litura CYP6AB14 R
    Spodoptera litura CYP6AB60 R