Compound - Results

Trioxysalen

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Information Structure
Name Trioxysalen
Synonyms
2,4,8-Trimethylpsoralen
2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one
4,5,8-Trimethylpsoralen
4,5,8-Trimethylpsoralene
5-19-04-00472 (Beilstein Handbook Reference)
6-Hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic Acid Gamma-lactone
BRN 0221723
EINECS 223-459-0
Elder 8011
NSC-71047
Trioxisaleno
Trioxsalen
Trioxysalen
Trioxysalene
Trioxysalenum
Trisoralen
ATC D05AD01
D05BA01
CID 5585
CAS 003902714
SMILES CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
Formula C14H12O3
Molweight 228.243
Atoms 17
LogP 3.4644
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
Methoxsalen

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Information Structure
Name Methoxsalen
Synonyms
5-19-06-00015 (Beilstein Handbook Reference)
5-Benzofuranacrylic Acid, 6-hydroxy-7-methoxy-, Delta-lactone
6-Hydroxy-7-methoxy-5-benzofuranacrylic Acid Delta-lactone
7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-
8-Methoxy-(furano-3.2:6.7-coumarin)
8-Methoxy-2,3,6,7-furocoumarin
8-Methoxy-4,5,6,7-furocoumarin
8-Methoxypsoralen
8-Methoxypsoralene
8-MOP
8-MOP Capsules
9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
9-Methoxypsoralen
Ammodin
Ammoidin
BRN 0196453
CCRIS 2083
DRG-0088
EINECS 206-066-9
Geroxalen
HSDB 2505
Meladinin
Meladinin (VAN)
Meladinine
Meladoxen
Meloxine
Methoxa-Dome
Methoxasalen
Methoxsalen
NCI-C55903
New-meladinin
NSC 45923
Oxsoralen Lotion
Oxsoralen Ultra
Oxsoralen-Ultra
Oxypsoralen
Psoralon-MOP
Puvalen
Uvadex
Xanthotoxin
Xanthotoxine
ATC D05AD02
D05BA02
CID 4114
CAS 000298817
Drugbank ID DB00553
TTD Drug ID DAP000996
Herbal origin Fourleaf Ladybell Root
SMILES COC1=C2OC(=O)C=CC2=CC3=C1OC=C3
Formula C12H8O4
Molweight 216.19
Atoms 16
LogP 2.5478
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Inhibitor 8474022
1A2Inhibitor medicine.iupui.edu/flockhart
11353760
2A6Substrate Inhibitor 10583023
9665710
8886607
9456305
15579482
10616189
10583023
9143352
16176798
7945434
9394031
2A13Inhibitor 15579482
15579482
3A4Substrate 17003103
Extrarenal fraction 0.9
Elimination half-life < 2.0h
Bergapten

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Information Structure
Name Bergapten
Synonyms
4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
5-19-06-00004 (Beilstein Handbook Reference)
5-Methoxy Psoralen
5-Methoxy-6,7-furanocoumarin
5-Methoxypsoralen
5-Mop
6-Hydroxy-4-methoxy-5-benzofuranacrylic Acid, Gamma-lactone
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-
Bergaptan
Bergapten
Bergapten(e)
Bergaptene
BRN 0019560
CCRIS 4348
EINECS 207-604-5
Heraclin
HSDB 3466
Majudin
NSC 95437
ATC D05BA03
CID 2355
CAS 000484208
Herbal origin Cibot Rhizome
SMILES COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
Formula C12H8O4
Molweight 216.19
Atoms 16
LogP 2.5478
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Inhibitor 8474022
3A4Inhibitor 11180034
Phase2 interactions
NameReferences
NAT 16277023