| Entry |
|
|---|
| Name |
Xanthotoxin;
Methoxsalen;
O-Methylxanthotoxol;
8-Methoxypsoralen;
8-Methoxyfuranocoumarin
|
|---|
| Formula |
C12H8O4
|
|---|
| Exact mass |
216.0423
|
|---|
| Mol weight |
216.19
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Coumarins
Furanocoumarins
C01864 Xanthotoxin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D05 ANTIPSORIATICS
D05A ANTIPSORIATICS FOR TOPICAL USE
D05AD Psoralens for topical use
D05AD02 Methoxsalen
D00139 Methoxsalen (JP18/USP) <JP/US>
D05B ANTIPSORIATICS FOR SYSTEMIC USE
D05BA Psoralens for systemic use
D05BA02 Methoxsalen
D00139 Methoxsalen (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
Dermatological Agents
Dermatological Agents, Other
Psoriasis Agents
Methoxsalen
D00139 Methoxsalen (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
26 Epidermides
269 Miscellaneous
2699 Others
D00139 Methoxsalen (JP18/USP)
Drug groups [BR:br08330]
Metabolizing enzyme inhibitor
DG01525 CYP2A6 inhibitor
D00139 Methoxsalen
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00139 Methoxsalen
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00139
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 16
1 C8y C 24.7100 -21.4900
2 C8x C 24.7100 -22.8900
3 C8x C 25.9000 -23.5900
4 C8y C 27.1600 -22.8900
5 C8y C 27.1600 -21.4900
6 O7x O 25.9000 -20.7900
7 C8x C 28.3500 -23.5900
8 C8y C 29.5400 -22.8900
9 C8y C 29.5400 -21.4900
10 C8y C 28.3500 -20.7900
11 C8x C 30.8700 -23.3100
12 C8x C 31.7100 -22.1900
13 O2x O 30.8700 -21.0700
14 O6a O 23.5200 -20.7900
15 O2a O 28.3500 -19.3900
16 C1a C 29.5400 -18.6900
BOND 18
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 9 13 1
16 1 14 2
17 10 15 1
18 15 16 1
|
|---|
