| Entry |
|
|---|
| Name |
Daunorubicin (INN);
DM;
DaunoXome (TN) |
|---|
| Formula |
C27H29NO10
|
|---|
| Exact mass |
527.1791
|
|---|
| Mol weight |
527.5199
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Streptomyces peucetius [TAX: 1950], Streptomyces coeruleorubidus [TAX: 116188]
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
|
|---|
| Remark |
| Product (DG00697): | D01264<JP/US> |
| Product (mixture): | D11390<US> |
|
|---|
| Efficacy |
Antibiotic, Antineoplastic, Topoisomerase II inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Biosynthesis |
| map01057 | Biosynthesis of type II polyketide products |
|
|---|
| Structure map |
| map07042 | Antineoplastics - agents from natural products |
|
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| Other map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB02 Daunorubicin
D07776 Daunorubicin (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00697 Daunorubicin
D07776 Daunorubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00697 Daunorubicin
D07776 Daunorubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D07776 Daunorubicin (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00697 Daunorubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00697 Daunorubicin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C8y C 24.1500 -14.0000
2 C8y C 24.1500 -15.4000
3 C8y C 22.9600 -13.3000
4 C1x C 25.3400 -13.3000
5 C1y C 25.4100 -16.1000
6 C8y C 22.9600 -16.1000
7 C8y C 21.7700 -14.0000
8 O1a O 22.9600 -11.9700
9 C1z C 26.6700 -13.9300
10 C1x C 26.6700 -15.4000
11 O2a O 25.4800 -17.8500
12 C8y C 21.7700 -15.4000
13 O1a O 22.9600 -17.4300
14 C5x C 20.5800 -13.3700
15 C1y C 27.1600 -18.7600
16 C5x C 20.5800 -16.1000
17 C8y C 19.3900 -14.0700
18 O5x O 20.5800 -11.9700
19 C1x C 27.1600 -20.1600
20 O2x O 28.3500 -18.1300
21 C8y C 19.3900 -15.4000
22 O5x O 20.5800 -17.4300
23 C8x C 18.2000 -13.3700
24 C1y C 28.3500 -20.7900
25 C1y C 29.4700 -18.7600
26 C8y C 18.2000 -16.1000
27 C8x C 17.0100 -14.0700
28 C1y C 29.4700 -20.1600
29 N1a N 28.3500 -22.1900
30 C1a C 30.7300 -18.1300
31 C8x C 17.0100 -15.4000
32 O2a O 18.2000 -17.4300
33 O1a O 30.7300 -20.7900
34 C1a C 17.0100 -18.1300
35 C5a C 27.8600 -13.2300
36 C1a C 29.1200 -13.8600
37 O5a O 27.8600 -11.7600
38 O1a O 27.9300 -14.6300
BOND 42
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 1
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 15 11 1 #Down
15 12 16 1
16 14 17 1
17 14 18 2
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 2
22 17 23 2
23 19 24 1
24 20 25 1
25 21 26 2
26 23 27 1
27 24 28 1
28 24 29 1 #Up
29 25 30 1 #Up
30 26 31 1
31 26 32 1
32 28 33 1 #Up
33 32 34 1
34 7 12 2
35 9 10 1
36 17 21 1
37 25 28 1
38 27 31 2
39 9 35 1 #Up
40 35 36 1
41 35 37 2
42 9 38 1 #Down
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