| Entry |
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| Name |
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| Formula |
C20H24N2O2
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| Exact mass |
324.1838
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| Mol weight |
324.4168
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
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| Enzyme |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BC Methanolquinolines
P01BC01 Quinine
D08460 Quinine (BAN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D08460 Quinine
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D08460 Quinine
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D08460 Quinine (BAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08460
Drug transporters
D08460
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| Other DBs |
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| KCF data |
ATOM 24
1 C8y C 25.2138 -26.7819
2 C8y C 26.4311 -26.0855
3 C8y C 25.2078 -28.1809
4 C8x C 24.0081 -26.0795
5 C1c C 26.4370 -24.6865
6 C8x C 27.6427 -26.7878
7 C8x C 24.0081 -28.8831
8 N5x N 26.4194 -28.8831
9 C8y C 22.7906 -26.7819
10 C1y C 27.6544 -23.9901
11 O1a O 25.2255 -23.9784
12 C8x C 27.6369 -28.1924
13 C8x C 22.7906 -28.1809
14 O2a O 21.5790 -26.0795
15 N1y N 29.0885 -23.1180
16 C1x C 26.9229 -22.9540
17 C1a C 21.5790 -24.6807
18 C1x C 29.0885 -21.8830
19 C1x C 30.5868 -23.9198
20 C1y C 28.3333 -22.1170
21 C1y C 28.3393 -21.1280
22 C1x C 29.8903 -22.8136
23 C2b C 27.8124 -19.8286
24 C2a C 28.6728 -18.7222
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 2
13 9 14 1
14 10 15 1
15 10 16 1
16 14 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 18 21 1
21 19 22 1
22 21 23 1 #Up
23 23 24 2
24 8 12 2
25 9 13 1
26 20 21 1
27 20 22 1
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