Showing NP-Card for Ganoderlactone A (NP0014480)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 23:38:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:17:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0014480 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Ganoderlactone A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Ganoderlactone A is found in Ganoderma lucidum. Based on a literature review very few articles have been published on Ganoderlactone A. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0014480 (Ganoderlactone A)
Mrv1652306242119563D
70 74 0 0 0 0 999 V2000
-4.8460 1.5104 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 0.0146 -0.6328 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2125 -0.6245 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0807 -0.5003 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0292 -1.2545 0.6109 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 -0.0984 1.9079 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0846 0.4433 1.8074 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3901 -0.3177 0.7183 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3701 -1.7749 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 0.0772 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.2924 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1687 -1.6690 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5367 -2.4661 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.3294 -1.4534 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0452 -0.1500 -0.6438 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8974 0.2498 -0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6701 1.6642 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -0.4518 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -1.2250 -2.8792 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -0.0150 -1.7551 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1174 0.4913 -0.3327 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3996 0.1233 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7528 -1.3175 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6166 0.8429 1.6307 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1274 1.1307 1.6123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2736 1.5034 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0785 2.3817 -0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4006 0.7344 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.1587 0.2419 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7366 -1.2822 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2972 1.0251 1.3219 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5039 2.3814 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 0.8380 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 1.3793 2.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2289 1.8783 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9134 2.1041 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5646 1.7454 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2886 -0.2900 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1777 -1.7133 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8380 -0.1669 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1338 0.6816 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5542 -0.9905 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.1264 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 1.5201 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 -2.2933 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 -1.7525 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -2.3313 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 -0.7818 -2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -3.1305 -1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -2.2882 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 -1.3310 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 0.7566 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 2.3201 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 2.1609 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3251 1.5933 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 -0.8372 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 0.7573 -2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 1.6213 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8868 -1.5864 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 -2.0071 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7844 -1.5443 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1555 1.8511 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3275 0.2405 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3652 2.0351 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7080 0.2508 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.4160 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -2.0173 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.4721 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7299 0.6735 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 2.9518 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 1 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
11 16 1 0 0 0 0
16 17 1 6 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
21 29 1 0 0 0 0
29 30 1 1 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
15 2 1 0 0 0 0
29 16 1 0 0 0 0
15 8 1 0 0 0 0
28 22 1 0 0 0 0
33 10 1 0 0 0 0
1 35 1 0 0 0 0
1 36 1 0 0 0 0
1 37 1 0 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
9 45 1 0 0 0 0
9 46 1 0 0 0 0
9 47 1 0 0 0 0
12 48 1 6 0 0 0
13 49 1 0 0 0 0
14 50 1 0 0 0 0
14 51 1 0 0 0 0
15 52 1 6 0 0 0
17 53 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
20 56 1 0 0 0 0
20 57 1 0 0 0 0
21 58 1 6 0 0 0
23 59 1 0 0 0 0
23 60 1 0 0 0 0
23 61 1 0 0 0 0
24 62 1 0 0 0 0
24 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
30 66 1 0 0 0 0
30 67 1 0 0 0 0
30 68 1 0 0 0 0
31 69 1 1 0 0 0
32 70 1 0 0 0 0
M END
3D MOL for NP0014480 (Ganoderlactone A)
RDKit 3D
70 74 0 0 0 0 0 0 0 0999 V2000
-4.8460 1.5104 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 0.0146 -0.6328 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2125 -0.6245 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0807 -0.5003 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0292 -1.2545 0.6109 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 -0.0984 1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 0.4433 1.8074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 -0.3177 0.7183 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3701 -1.7749 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 0.0772 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.2924 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1687 -1.6690 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5367 -2.4661 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.3294 -1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0452 -0.1500 -0.6438 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8974 0.2498 -0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6701 1.6642 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -0.4518 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -1.2250 -2.8792 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -0.0150 -1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.4913 -0.3327 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3996 0.1233 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7528 -1.3175 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6166 0.8429 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1274 1.1307 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2736 1.5034 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0785 2.3817 -0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4006 0.7344 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.1587 0.2419 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7366 -1.2822 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2972 1.0251 1.3219 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5039 2.3814 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 0.8380 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 1.3793 2.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2289 1.8783 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9134 2.1041 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5646 1.7454 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2886 -0.2900 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1777 -1.7133 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8380 -0.1669 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1338 0.6816 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5542 -0.9905 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.1264 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 1.5201 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 -2.2933 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 -1.7525 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -2.3313 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 -0.7818 -2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -3.1305 -1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -2.2882 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 -1.3310 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 0.7566 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 2.3201 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 2.1609 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3251 1.5933 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 -0.8372 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 0.7573 -2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 1.6213 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8868 -1.5864 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 -2.0071 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7844 -1.5443 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1555 1.8511 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3275 0.2405 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3652 2.0351 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7080 0.2508 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.4160 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -2.0173 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.4721 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7299 0.6735 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 2.9518 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 1
8 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
11 16 1 0
16 17 1 6
16 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 1
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
21 29 1 0
29 30 1 1
29 31 1 0
31 32 1 0
31 33 1 0
33 34 2 0
15 2 1 0
29 16 1 0
15 8 1 0
28 22 1 0
33 10 1 0
1 35 1 0
1 36 1 0
1 37 1 0
3 38 1 0
3 39 1 0
3 40 1 0
6 41 1 0
6 42 1 0
7 43 1 0
7 44 1 0
9 45 1 0
9 46 1 0
9 47 1 0
12 48 1 6
13 49 1 0
14 50 1 0
14 51 1 0
15 52 1 6
17 53 1 0
17 54 1 0
17 55 1 0
20 56 1 0
20 57 1 0
21 58 1 6
23 59 1 0
23 60 1 0
23 61 1 0
24 62 1 0
24 63 1 0
25 64 1 0
25 65 1 0
30 66 1 0
30 67 1 0
30 68 1 0
31 69 1 1
32 70 1 0
M END
3D SDF for NP0014480 (Ganoderlactone A)
Mrv1652306242119563D
70 74 0 0 0 0 999 V2000
-4.8460 1.5104 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 0.0146 -0.6328 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2125 -0.6245 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0807 -0.5003 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0292 -1.2545 0.6109 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 -0.0984 1.9079 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0846 0.4433 1.8074 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3901 -0.3177 0.7183 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3701 -1.7749 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 0.0772 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.2924 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1687 -1.6690 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5367 -2.4661 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.3294 -1.4534 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0452 -0.1500 -0.6438 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8974 0.2498 -0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6701 1.6642 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -0.4518 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -1.2250 -2.8792 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -0.0150 -1.7551 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1174 0.4913 -0.3327 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3996 0.1233 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7528 -1.3175 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6166 0.8429 1.6307 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1274 1.1307 1.6123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2736 1.5034 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0785 2.3817 -0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4006 0.7344 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.1587 0.2419 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7366 -1.2822 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2972 1.0251 1.3219 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5039 2.3814 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 0.8380 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 1.3793 2.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2289 1.8783 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9134 2.1041 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5646 1.7454 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2886 -0.2900 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1777 -1.7133 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8380 -0.1669 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1338 0.6816 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5542 -0.9905 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.1264 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 1.5201 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 -2.2933 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 -1.7525 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -2.3313 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 -0.7818 -2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -3.1305 -1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -2.2882 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 -1.3310 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 0.7566 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 2.3201 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 2.1609 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3251 1.5933 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 -0.8372 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 0.7573 -2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 1.6213 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8868 -1.5864 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 -2.0071 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7844 -1.5443 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1555 1.8511 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3275 0.2405 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3652 2.0351 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7080 0.2508 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.4160 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -2.0173 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.4721 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7299 0.6735 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 2.9518 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 1 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
11 16 1 0 0 0 0
16 17 1 6 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
21 29 1 0 0 0 0
29 30 1 1 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
15 2 1 0 0 0 0
29 16 1 0 0 0 0
15 8 1 0 0 0 0
28 22 1 0 0 0 0
33 10 1 0 0 0 0
1 35 1 0 0 0 0
1 36 1 0 0 0 0
1 37 1 0 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
9 45 1 0 0 0 0
9 46 1 0 0 0 0
9 47 1 0 0 0 0
12 48 1 6 0 0 0
13 49 1 0 0 0 0
14 50 1 0 0 0 0
14 51 1 0 0 0 0
15 52 1 6 0 0 0
17 53 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
20 56 1 0 0 0 0
20 57 1 0 0 0 0
21 58 1 6 0 0 0
23 59 1 0 0 0 0
23 60 1 0 0 0 0
23 61 1 0 0 0 0
24 62 1 0 0 0 0
24 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
30 66 1 0 0 0 0
30 67 1 0 0 0 0
30 68 1 0 0 0 0
31 69 1 1 0 0 0
32 70 1 0 0 0 0
M END
> <DATABASE_ID>
NP0014480
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@]1([H])C2=C(C(=O)[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C(=O)[C@@]23C([H])([H])[H])[C@]2(OC(=O)C([H])([H])C2([H])[H])C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C1([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C27H36O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-15,22,28,33H,7-12H2,1-6H3/t13-,14-,15+,22-,24-,25-,26-,27-/m0/s1
> <INCHI_KEY>
ZHZRHASCKKRCIY-SNLAREEVSA-N
> <FORMULA>
C27H36O7
> <MOLECULAR_WEIGHT>
472.578
> <EXACT_MASS>
472.246103499
> <JCHEM_ACCEPTOR_COUNT>
6
> <JCHEM_ATOM_COUNT>
70
> <JCHEM_AVERAGE_POLARIZABILITY>
50.37174833878214
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
1
> <JCHEM_IUPAC>
(2S,7R,9S,11R,14S,15R,16R)-9,16-dihydroxy-2,6,6,11,15-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,12,17-trione
> <ALOGPS_LOGP>
2.59
> <JCHEM_LOGP>
2.2481091659999994
> <ALOGPS_LOGS>
-3.53
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
14.522806787510788
> <JCHEM_PKA_STRONGEST_ACIDIC>
12.889491108909912
> <JCHEM_PKA_STRONGEST_BASIC>
-3.0126793893697013
> <JCHEM_POLAR_SURFACE_AREA>
117.97000000000001
> <JCHEM_REFRACTIVITY>
123.21719999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
1
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
1.38e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,7R,9S,11R,14S,15R,16R)-9,16-dihydroxy-2,6,6,11,15-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,12,17-trione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0014480 (Ganoderlactone A)
RDKit 3D
70 74 0 0 0 0 0 0 0 0999 V2000
-4.8460 1.5104 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 0.0146 -0.6328 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2125 -0.6245 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0807 -0.5003 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0292 -1.2545 0.6109 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 -0.0984 1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 0.4433 1.8074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 -0.3177 0.7183 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3701 -1.7749 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 0.0772 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.2924 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1687 -1.6690 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5367 -2.4661 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.3294 -1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0452 -0.1500 -0.6438 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8974 0.2498 -0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6701 1.6642 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -0.4518 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -1.2250 -2.8792 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -0.0150 -1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.4913 -0.3327 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3996 0.1233 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7528 -1.3175 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6166 0.8429 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1274 1.1307 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2736 1.5034 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0785 2.3817 -0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4006 0.7344 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.1587 0.2419 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7366 -1.2822 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2972 1.0251 1.3219 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5039 2.3814 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 0.8380 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 1.3793 2.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2289 1.8783 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9134 2.1041 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5646 1.7454 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2886 -0.2900 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1777 -1.7133 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8380 -0.1669 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1338 0.6816 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5542 -0.9905 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 0.1264 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 1.5201 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 -2.2933 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 -1.7525 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 -2.3313 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 -0.7818 -2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -3.1305 -1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -2.2882 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 -1.3310 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 0.7566 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 2.3201 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 2.1609 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3251 1.5933 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 -0.8372 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 0.7573 -2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 1.6213 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8868 -1.5864 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 -2.0071 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7844 -1.5443 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1555 1.8511 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3275 0.2405 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3652 2.0351 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7080 0.2508 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.4160 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -2.0173 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.4721 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7299 0.6735 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 2.9518 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 1
8 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
11 16 1 0
16 17 1 6
16 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 1
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
21 29 1 0
29 30 1 1
29 31 1 0
31 32 1 0
31 33 1 0
33 34 2 0
15 2 1 0
29 16 1 0
15 8 1 0
28 22 1 0
33 10 1 0
1 35 1 0
1 36 1 0
1 37 1 0
3 38 1 0
3 39 1 0
3 40 1 0
6 41 1 0
6 42 1 0
7 43 1 0
7 44 1 0
9 45 1 0
9 46 1 0
9 47 1 0
12 48 1 6
13 49 1 0
14 50 1 0
14 51 1 0
15 52 1 6
17 53 1 0
17 54 1 0
17 55 1 0
20 56 1 0
20 57 1 0
21 58 1 6
23 59 1 0
23 60 1 0
23 61 1 0
24 62 1 0
24 63 1 0
25 64 1 0
25 65 1 0
30 66 1 0
30 67 1 0
30 68 1 0
31 69 1 1
32 70 1 0
M END
PDB for NP0014480 (Ganoderlactone A)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -4.846 1.510 -0.687 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.508 0.015 -0.633 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.213 -0.625 -1.812 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.081 -0.500 0.622 0.00 0.00 C+0 HETATM 5 O UNK 0 -6.029 -1.254 0.611 0.00 0.00 O+0 HETATM 6 C UNK 0 -4.499 -0.098 1.908 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.085 0.443 1.807 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.390 -0.318 0.718 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.370 -1.775 1.168 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.980 0.077 0.487 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.441 -0.292 -0.675 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.066 -1.169 -1.669 0.00 0.00 C+0 HETATM 13 O UNK 0 -0.537 -2.466 -1.709 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.555 -1.329 -1.453 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.045 -0.150 -0.644 0.00 0.00 C+0 HETATM 16 C UNK 0 0.897 0.250 -0.956 0.00 0.00 C+0 HETATM 17 C UNK 0 0.670 1.664 -1.411 0.00 0.00 C+0 HETATM 18 C UNK 0 1.680 -0.452 -1.987 0.00 0.00 C+0 HETATM 19 O UNK 0 1.403 -1.225 -2.879 0.00 0.00 O+0 HETATM 20 C UNK 0 3.095 -0.015 -1.755 0.00 0.00 C+0 HETATM 21 C UNK 0 3.117 0.491 -0.333 0.00 0.00 C+0 HETATM 22 C UNK 0 4.400 0.123 0.304 0.00 0.00 C+0 HETATM 23 C UNK 0 4.753 -1.317 0.387 0.00 0.00 C+0 HETATM 24 C UNK 0 4.617 0.843 1.631 0.00 0.00 C+0 HETATM 25 C UNK 0 6.127 1.131 1.612 0.00 0.00 C+0 HETATM 26 C UNK 0 6.274 1.503 0.171 0.00 0.00 C+0 HETATM 27 O UNK 0 7.079 2.382 -0.271 0.00 0.00 O+0 HETATM 28 O UNK 0 5.401 0.734 -0.524 0.00 0.00 O+0 HETATM 29 C UNK 0 1.826 0.159 0.242 0.00 0.00 C+0 HETATM 30 C UNK 0 1.737 -1.282 0.758 0.00 0.00 C+0 HETATM 31 C UNK 0 1.297 1.025 1.322 0.00 0.00 C+0 HETATM 32 O UNK 0 1.504 2.381 1.132 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.173 0.838 1.444 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.729 1.379 2.441 0.00 0.00 O+0 HETATM 35 H UNK 0 -5.229 1.878 0.265 0.00 0.00 H+0 HETATM 36 H UNK 0 -3.913 2.104 -0.909 0.00 0.00 H+0 HETATM 37 H UNK 0 -5.565 1.745 -1.476 0.00 0.00 H+0 HETATM 38 H UNK 0 -6.289 -0.290 -1.740 0.00 0.00 H+0 HETATM 39 H UNK 0 -5.178 -1.713 -1.801 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.838 -0.167 -2.758 0.00 0.00 H+0 HETATM 41 H UNK 0 -5.134 0.682 2.410 0.00 0.00 H+0 HETATM 42 H UNK 0 -4.554 -0.991 2.586 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.599 0.126 2.760 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.155 1.520 1.661 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.316 -2.293 0.984 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.274 -1.753 2.296 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.495 -2.331 0.831 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.949 -0.782 -2.718 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.216 -3.131 -1.943 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.740 -2.288 -0.963 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.084 -1.331 -2.414 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.597 0.757 -1.149 0.00 0.00 H+0 HETATM 53 H UNK 0 1.525 2.320 -1.404 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.150 2.161 -0.839 0.00 0.00 H+0 HETATM 55 H UNK 0 0.325 1.593 -2.485 0.00 0.00 H+0 HETATM 56 H UNK 0 3.817 -0.837 -1.923 0.00 0.00 H+0 HETATM 57 H UNK 0 3.314 0.757 -2.508 0.00 0.00 H+0 HETATM 58 H UNK 0 3.166 1.621 -0.435 0.00 0.00 H+0 HETATM 59 H UNK 0 4.887 -1.586 1.478 0.00 0.00 H+0 HETATM 60 H UNK 0 4.096 -2.007 -0.151 0.00 0.00 H+0 HETATM 61 H UNK 0 5.784 -1.544 -0.030 0.00 0.00 H+0 HETATM 62 H UNK 0 4.155 1.851 1.594 0.00 0.00 H+0 HETATM 63 H UNK 0 4.327 0.241 2.491 0.00 0.00 H+0 HETATM 64 H UNK 0 6.365 2.035 2.212 0.00 0.00 H+0 HETATM 65 H UNK 0 6.708 0.251 1.880 0.00 0.00 H+0 HETATM 66 H UNK 0 0.769 -1.416 1.327 0.00 0.00 H+0 HETATM 67 H UNK 0 1.707 -2.017 -0.041 0.00 0.00 H+0 HETATM 68 H UNK 0 2.503 -1.472 1.551 0.00 0.00 H+0 HETATM 69 H UNK 0 1.730 0.674 2.304 0.00 0.00 H+0 HETATM 70 H UNK 0 0.765 2.952 1.407 0.00 0.00 H+0 CONECT 1 2 35 36 37 CONECT 2 1 3 4 15 CONECT 3 2 38 39 40 CONECT 4 2 5 6 CONECT 5 4 CONECT 6 4 7 41 42 CONECT 7 6 8 43 44 CONECT 8 7 9 10 15 CONECT 9 8 45 46 47 CONECT 10 8 11 33 CONECT 11 10 12 16 CONECT 12 11 13 14 48 CONECT 13 12 49 CONECT 14 12 15 50 51 CONECT 15 14 2 8 52 CONECT 16 11 17 18 29 CONECT 17 16 53 54 55 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 21 56 57 CONECT 21 20 22 29 58 CONECT 22 21 23 24 28 CONECT 23 22 59 60 61 CONECT 24 22 25 62 63 CONECT 25 24 26 64 65 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 22 CONECT 29 21 30 31 16 CONECT 30 29 66 67 68 CONECT 31 29 32 33 69 CONECT 32 31 70 CONECT 33 31 34 10 CONECT 34 33 CONECT 35 1 CONECT 36 1 CONECT 37 1 CONECT 38 3 CONECT 39 3 CONECT 40 3 CONECT 41 6 CONECT 42 6 CONECT 43 7 CONECT 44 7 CONECT 45 9 CONECT 46 9 CONECT 47 9 CONECT 48 12 CONECT 49 13 CONECT 50 14 CONECT 51 14 CONECT 52 15 CONECT 53 17 CONECT 54 17 CONECT 55 17 CONECT 56 20 CONECT 57 20 CONECT 58 21 CONECT 59 23 CONECT 60 23 CONECT 61 23 CONECT 62 24 CONECT 63 24 CONECT 64 25 CONECT 65 25 CONECT 66 30 CONECT 67 30 CONECT 68 30 CONECT 69 31 CONECT 70 32 MASTER 0 0 0 0 0 0 0 0 70 0 148 0 END SMILES for NP0014480 (Ganoderlactone A)[H]O[C@]1([H])C2=C(C(=O)[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C(=O)[C@@]23C([H])([H])[H])[C@]2(OC(=O)C([H])([H])C2([H])[H])C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C1([H])[H] INCHI for NP0014480 (Ganoderlactone A)InChI=1S/C27H36O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-15,22,28,33H,7-12H2,1-6H3/t13-,14-,15+,22-,24-,25-,26-,27-/m0/s1 3D Structure for NP0014480 (Ganoderlactone A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C27H36O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 472.5780 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 472.24610 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,7R,9S,11R,14S,15R,16R)-9,16-dihydroxy-2,6,6,11,15-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,12,17-trione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,7R,9S,11R,14S,15R,16R)-9,16-dihydroxy-2,6,6,11,15-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,12,17-trione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C27H36O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-15,22,28,33H,7-12H2,1-6H3/t13-,14-,15+,22-,24-,25-,26-,27-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZHZRHASCKKRCIY-SNLAREEVSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA005350 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 59004408 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 122184969 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
