| Entry |
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| Name |
Emetine
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| Formula |
C29H40N2O4
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| Exact mass |
480.2988
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| Mol weight |
480.6389
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| Structure |
     |
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| Comment |
Isoquinoline alkaloids
Source: Cephaelis ipecacuanha [TAX: 77880]
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| Reaction |
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| Pathway |
| Isoquinoline alkaloid biosynthesis | | Biosynthesis of alkaloids derived from shikimate pathway | | Metabolic pathways | | Biosynthesis of secondary metabolites |
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| Brite |
Compounds with biological roles [BR:br08001]
Phytochemical compounds
Alkaloids
C09421 Emetine
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C09421 Emetine
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| Other DBs |
CAS: 483-18-1 PubChem: ChEBI: KNApSAcK: 3DMET: NIKKAJI: |
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| KCF data |
ATOM 35
1 C1y C 28.6359 -15.6767
2 C8y C 27.4284 -14.9827
3 N1y N 29.8551 -14.9944
4 C1x C 28.6242 -17.0768
5 C8y C 27.4342 -13.5828
6 C8x C 26.2268 -15.6826
7 C1x C 31.0567 -15.7001
8 C1x C 29.8609 -13.5945
9 C1y C 29.8318 -17.7825
10 C8x C 26.2268 -12.8770
11 C1x C 28.6475 -12.8829
12 C8y C 25.0078 -14.9827
13 C1y C 31.1150 -17.1001
14 C8y C 25.0078 -13.5828
15 O2a O 23.7945 -15.6826
16 C1b C 32.2522 -17.7942
17 O2a O 23.7945 -12.8770
18 C1a C 22.5753 -14.9827
19 C1a C 33.4656 -17.0825
20 C1a C 22.5812 -13.5769
21 C1b C 29.8201 -19.1884
22 C1y C 28.5308 -19.8767
23 C8y C 28.5775 -21.2765
24 N1x N 27.4051 -19.1591
25 C8y C 27.2885 -21.9531
26 C8x C 29.7734 -22.0056
27 C1x C 26.1743 -19.8358
28 C8x C 27.3177 -23.3471
29 C1x C 26.1627 -21.2356
30 C8y C 29.7384 -23.4055
31 C8y C 28.5135 -24.0705
32 O2a O 30.9458 -24.1172
33 O2a O 28.5075 -25.4704
34 C1a C 27.2738 -26.1780
35 C1a C 30.9458 -25.5166
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 10 14 2
14 12 15 1
15 13 16 1 #Down
16 14 17 1
17 15 18 1
18 16 19 1
19 17 20 1
20 8 11 1
21 9 13 1
22 12 14 1
23 21 22 1
24 22 23 1
25 22 24 1
26 23 25 2
27 23 26 1
28 24 27 1
29 25 28 1
30 25 29 1
31 26 30 2
32 28 31 2
33 30 32 1
34 31 33 1
35 27 29 1
36 30 31 1
37 33 34 1
38 9 21 1 #Up
39 32 35 1
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