KEGG   DRUG: PsoraleneHelp
Entry
D08450                      Drug                                   

Name
Psoralene (DCF);
Psoralen;
Manaderm (TN)
Formula
C11H6O3
Exact mass
186.0317
Mol weight
186.1635
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C09305
Efficacy
Pigmentation agent
Comment
melanization
allelochemical
Other DBs
CAS: 66-97-7
PubChem: 96025136
ChEBI: 27616
ChEMBL: CHEMBL164660
LigandBox: D08450
NIKKAJI: J2.363I
LinkDB All DBs
KCF data Show

ATOM        14
            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  C8x 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
BOND        16
            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

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