Showing NP-Card for Ganodermalactone K (NP0019529)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 05:02:00 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:31:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0019529 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Ganodermalactone K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Ganodermalactone K is found in Tomophagus sp. Based on a literature review very few articles have been published on Ganodermalactone K. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0019529 (Ganodermalactone K)Mrv1652307042107483D 83 88 0 0 0 0 999 V2000 -6.7426 1.9018 2.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 1.5813 2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 1.6395 3.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.2251 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 0.8932 1.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7798 0.5369 0.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9958 1.7288 -0.7506 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3291 2.3277 -0.7787 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4636 1.4638 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 1.9519 -1.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 0.2021 -0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8617 -0.8605 -0.3102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1985 -1.5690 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.8940 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.6252 -0.4693 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7113 -1.9591 -0.2161 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3296 -1.8020 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -0.7110 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.3879 0.3022 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6985 1.6852 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.7590 1.3569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9541 0.4211 1.3874 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5004 -0.5396 0.4263 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3753 -1.9503 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 -0.2808 -0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -0.7057 0.7267 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0565 -0.0545 2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -0.3714 0.0163 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4681 1.0827 -0.2753 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7977 1.3066 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 0.3568 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 0.6647 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -0.9298 -1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2554 -1.8047 -2.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.1127 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.1846 -1.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3987 -1.4876 -1.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6938 -0.4742 -0.8926 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8337 0.8513 -1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5237 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 0.9783 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 2.4581 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 0.1877 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.8640 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 1.3758 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 2.4907 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 3.0036 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 3.0875 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -1.6025 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 -1.0814 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -2.6235 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -1.6742 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -1.9087 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -2.9103 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 -0.4985 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -2.7270 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -2.1853 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -2.5796 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 1.2245 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.0230 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.4089 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -2.6976 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -2.0339 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -2.1966 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 0.7739 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -1.8140 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.5529 2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 1.0282 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 -0.0957 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.6531 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 1.7221 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 1.4456 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 2.2696 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 0.6791 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 -0.0521 -2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 1.7166 -2.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -2.1521 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.6239 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2765 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -2.5317 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 1.6555 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.7818 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.1224 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 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 33 35 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 15 6 1 0 0 0 0 38 18 1 0 0 0 0 19 6 1 0 0 0 0 38 23 1 0 0 0 0 21 19 1 0 0 0 0 35 28 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 6 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 21 59 1 1 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 6 0 0 0 26 66 1 1 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 1 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END 3D MOL for NP0019529 (Ganodermalactone K)RDKit 3D 83 88 0 0 0 0 0 0 0 0999 V2000 -6.7426 1.9018 2.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 1.5813 2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 1.6395 3.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.2251 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 0.8932 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 0.5369 0.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9958 1.7288 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 2.3277 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4636 1.4638 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 1.9519 -1.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 0.2021 -0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8617 -0.8605 -0.3102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1985 -1.5690 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.8940 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.6252 -0.4693 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7113 -1.9591 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 -1.8020 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -0.7110 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.3879 0.3022 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6985 1.6852 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.7590 1.3569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9541 0.4211 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 -0.5396 0.4263 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3753 -1.9503 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 -0.2808 -0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -0.7057 0.7267 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0565 -0.0545 2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -0.3714 0.0163 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4681 1.0827 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7977 1.3066 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 0.3568 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 0.6647 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -0.9298 -1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2554 -1.8047 -2.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.1127 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.1846 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 -1.4876 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -0.4742 -0.8926 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8337 0.8513 -1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5237 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 0.9783 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 2.4581 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 0.1877 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.8640 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 1.3758 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 2.4907 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 3.0036 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 3.0875 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -1.6025 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 -1.0814 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -2.6235 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -1.6742 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -1.9087 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -2.9103 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 -0.4985 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -2.7270 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -2.1853 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -2.5796 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 1.2245 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.0230 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.4089 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -2.6976 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -2.0339 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -2.1966 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 0.7739 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -1.8140 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.5529 2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 1.0282 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 -0.0957 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.6531 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 1.7221 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 1.4456 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 2.2696 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 0.6791 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 -0.0521 -2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 1.7166 -2.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -2.1521 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.6239 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2765 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -2.5317 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 1.6555 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.7818 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.1224 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 6 5 1 1 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 6 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 25 36 1 0 36 37 1 0 37 38 1 0 38 39 1 6 15 6 1 0 38 18 1 0 19 6 1 0 38 23 1 0 21 19 1 0 35 28 1 0 1 40 1 0 1 41 1 0 1 42 1 0 5 43 1 0 5 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 14 54 1 0 15 55 1 6 16 56 1 0 16 57 1 0 17 58 1 0 21 59 1 1 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 6 26 66 1 1 27 67 1 0 27 68 1 0 27 69 1 0 28 70 1 1 29 71 1 0 29 72 1 0 30 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 36 77 1 0 36 78 1 0 37 79 1 0 37 80 1 0 39 81 1 0 39 82 1 0 39 83 1 0 M END 3D SDF for NP0019529 (Ganodermalactone K)Mrv1652307042107483D 83 88 0 0 0 0 999 V2000 -6.7426 1.9018 2.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 1.5813 2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 1.6395 3.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.2251 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 0.8932 1.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7798 0.5369 0.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9958 1.7288 -0.7506 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3291 2.3277 -0.7787 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4636 1.4638 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 1.9519 -1.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 0.2021 -0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8617 -0.8605 -0.3102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1985 -1.5690 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.8940 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.6252 -0.4693 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7113 -1.9591 -0.2161 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3296 -1.8020 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -0.7110 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.3879 0.3022 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6985 1.6852 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.7590 1.3569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9541 0.4211 1.3874 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5004 -0.5396 0.4263 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3753 -1.9503 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 -0.2808 -0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -0.7057 0.7267 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0565 -0.0545 2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -0.3714 0.0163 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4681 1.0827 -0.2753 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7977 1.3066 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 0.3568 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 0.6647 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -0.9298 -1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2554 -1.8047 -2.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.1127 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.1846 -1.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3987 -1.4876 -1.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6938 -0.4742 -0.8926 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8337 0.8513 -1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5237 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 0.9783 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 2.4581 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 0.1877 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.8640 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 1.3758 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 2.4907 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 3.0036 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 3.0875 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -1.6025 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 -1.0814 1.4735 H 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 4.7395 1.4456 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 2.2696 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 0.6791 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 -0.0521 -2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 1.7166 -2.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -2.1521 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.6239 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2765 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -2.5317 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 1.6555 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.7818 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.1224 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 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 33 35 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 15 6 1 0 0 0 0 38 18 1 0 0 0 0 19 6 1 0 0 0 0 38 23 1 0 0 0 0 21 19 1 0 0 0 0 35 28 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 6 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 21 59 1 1 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 6 0 0 0 26 66 1 1 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 1 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END > <DATABASE_ID> NP0019529 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C1=C(C(=O)O[C@@]([H])(C1([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C([H])C([H])([H])[C@]4([H])[C@](C([H])([H])OC(=O)C([H])([H])[H])(C([H])([H])C([H])([H])C(=O)OC4(C([H])([H])[H])C([H])([H])[H])[C@]33O[C@]3([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C32H44O7/c1-18-8-9-22(37-27(18)35)19(2)21-12-14-29(6)24-11-10-23-28(4,5)39-26(34)13-15-31(23,17-36-20(3)33)32(24)25(38-32)16-30(21,29)7/h8,11,19,21-23,25H,9-10,12-17H2,1-7H3/t19-,21+,22-,23-,25+,29-,30+,31+,32-/m0/s1 > <INCHI_KEY> FYIANMAHJHGDPG-XRUYFVBTSA-N > <FORMULA> C32H44O7 > <MOLECULAR_WEIGHT> 540.697 > <EXACT_MASS> 540.308703757 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 83 > <JCHEM_AVERAGE_POLARIZABILITY> 59.25586368399295 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> [(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate > <ALOGPS_LOGP> 5.71 > <JCHEM_LOGP> 4.564951439 > <ALOGPS_LOGS> -5.91 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -4.260894808072125 > <JCHEM_POLAR_SURFACE_AREA> 91.43 > <JCHEM_REFRACTIVITY> 145.12539999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.66e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> [(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0019529 (Ganodermalactone K)RDKit 3D 83 88 0 0 0 0 0 0 0 0999 V2000 -6.7426 1.9018 2.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 1.5813 2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 1.6395 3.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.2251 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 0.8932 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 0.5369 0.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9958 1.7288 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 2.3277 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4636 1.4638 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 1.9519 -1.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 0.2021 -0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8617 -0.8605 -0.3102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1985 -1.5690 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.8940 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.6252 -0.4693 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7113 -1.9591 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 -1.8020 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -0.7110 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.3879 0.3022 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6985 1.6852 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.7590 1.3569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9541 0.4211 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 -0.5396 0.4263 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3753 -1.9503 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 -0.2808 -0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -0.7057 0.7267 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0565 -0.0545 2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -0.3714 0.0163 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4681 1.0827 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7977 1.3066 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 0.3568 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 0.6647 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -0.9298 -1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2554 -1.8047 -2.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.1127 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.1846 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 -1.4876 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -0.4742 -0.8926 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8337 0.8513 -1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5237 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 0.9783 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 2.4581 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 0.1877 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.8640 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 1.3758 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 2.4907 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 3.0036 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 3.0875 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -1.6025 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 -1.0814 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -2.6235 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -1.6742 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -1.9087 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -2.9103 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 -0.4985 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -2.7270 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -2.1853 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -2.5796 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 1.2245 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.0230 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.4089 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -2.6976 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -2.0339 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -2.1966 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 0.7739 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -1.8140 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.5529 2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 1.0282 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 -0.0957 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.6531 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 1.7221 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 1.4456 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 2.2696 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 0.6791 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 -0.0521 -2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 1.7166 -2.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -2.1521 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.6239 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.2765 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -2.5317 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 1.6555 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.7818 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.1224 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 6 5 1 1 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 6 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 25 36 1 0 36 37 1 0 37 38 1 0 38 39 1 6 15 6 1 0 38 18 1 0 19 6 1 0 38 23 1 0 21 19 1 0 35 28 1 0 1 40 1 0 1 41 1 0 1 42 1 0 5 43 1 0 5 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 14 54 1 0 15 55 1 6 16 56 1 0 16 57 1 0 17 58 1 0 21 59 1 1 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 6 26 66 1 1 27 67 1 0 27 68 1 0 27 69 1 0 28 70 1 1 29 71 1 0 29 72 1 0 30 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 36 77 1 0 36 78 1 0 37 79 1 0 37 80 1 0 39 81 1 0 39 82 1 0 39 83 1 0 M END PDB for NP0019529 (Ganodermalactone K)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -6.743 1.902 2.614 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.308 1.581 2.721 0.00 0.00 C+0 HETATM 3 O UNK 0 -4.737 1.640 3.828 0.00 0.00 O+0 HETATM 4 O UNK 0 -4.623 1.225 1.607 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.267 0.893 1.542 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.780 0.537 0.160 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.996 1.729 -0.751 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.329 2.328 -0.779 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.464 1.464 -1.013 0.00 0.00 C+0 HETATM 10 O UNK 0 -6.357 1.952 -1.763 0.00 0.00 O+0 HETATM 11 O UNK 0 -5.704 0.202 -0.540 0.00 0.00 O+0 HETATM 12 C UNK 0 -4.862 -0.861 -0.310 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.199 -1.569 1.004 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.209 -1.894 -1.408 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.390 -0.625 -0.469 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.711 -1.959 -0.216 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.330 -1.802 -0.741 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.683 -0.711 -0.491 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.288 0.388 0.302 0.00 0.00 C+0 HETATM 20 O UNK 0 -0.699 1.685 0.213 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.496 0.759 1.357 0.00 0.00 C+0 HETATM 22 C UNK 0 0.954 0.421 1.387 0.00 0.00 C+0 HETATM 23 C UNK 0 1.500 -0.540 0.426 0.00 0.00 C+0 HETATM 24 C UNK 0 1.375 -1.950 0.956 0.00 0.00 C+0 HETATM 25 C UNK 0 2.858 -0.281 -0.134 0.00 0.00 C+0 HETATM 26 C UNK 0 3.994 -0.706 0.727 0.00 0.00 C+0 HETATM 27 C UNK 0 4.056 -0.055 2.069 0.00 0.00 C+0 HETATM 28 C UNK 0 5.293 -0.371 0.016 0.00 0.00 C+0 HETATM 29 C UNK 0 5.468 1.083 -0.275 0.00 0.00 C+0 HETATM 30 C UNK 0 6.798 1.307 -0.878 0.00 0.00 C+0 HETATM 31 C UNK 0 7.352 0.357 -1.602 0.00 0.00 C+0 HETATM 32 C UNK 0 8.692 0.665 -2.177 0.00 0.00 C+0 HETATM 33 C UNK 0 6.700 -0.930 -1.795 0.00 0.00 C+0 HETATM 34 O UNK 0 7.255 -1.805 -2.494 0.00 0.00 O+0 HETATM 35 O UNK 0 5.457 -1.113 -1.172 0.00 0.00 O+0 HETATM 36 C UNK 0 2.869 -1.185 -1.368 0.00 0.00 C+0 HETATM 37 C UNK 0 1.399 -1.488 -1.690 0.00 0.00 C+0 HETATM 38 C UNK 0 0.694 -0.474 -0.893 0.00 0.00 C+0 HETATM 39 C UNK 0 0.834 0.851 -1.575 0.00 0.00 C+0 HETATM 40 H UNK 0 -7.117 2.524 3.446 0.00 0.00 H+0 HETATM 41 H UNK 0 -7.375 0.978 2.553 0.00 0.00 H+0 HETATM 42 H UNK 0 -6.974 2.458 1.661 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.910 0.188 2.305 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.732 1.864 1.788 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.734 1.376 -1.790 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.259 2.491 -0.496 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.454 3.004 0.120 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.304 3.087 -1.622 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.367 -1.603 1.708 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.105 -1.081 1.474 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.517 -2.624 0.853 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.189 -1.674 -1.876 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.468 -1.909 -2.207 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.295 -2.910 -0.995 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.254 -0.499 -1.595 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.285 -2.727 -0.761 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.608 -2.185 0.864 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.858 -2.580 -1.325 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.875 1.224 2.288 0.00 0.00 H+0 HETATM 60 H UNK 0 1.164 0.023 2.426 0.00 0.00 H+0 HETATM 61 H UNK 0 1.507 1.409 1.391 0.00 0.00 H+0 HETATM 62 H UNK 0 1.906 -2.698 0.362 0.00 0.00 H+0 HETATM 63 H UNK 0 1.790 -2.034 1.995 0.00 0.00 H+0 HETATM 64 H UNK 0 0.305 -2.197 1.053 0.00 0.00 H+0 HETATM 65 H UNK 0 2.977 0.774 -0.368 0.00 0.00 H+0 HETATM 66 H UNK 0 4.022 -1.814 0.886 0.00 0.00 H+0 HETATM 67 H UNK 0 3.471 -0.553 2.853 0.00 0.00 H+0 HETATM 68 H UNK 0 3.812 1.028 2.044 0.00 0.00 H+0 HETATM 69 H UNK 0 5.127 -0.096 2.432 0.00 0.00 H+0 HETATM 70 H UNK 0 6.146 -0.653 0.700 0.00 0.00 H+0 HETATM 71 H UNK 0 5.342 1.722 0.626 0.00 0.00 H+0 HETATM 72 H UNK 0 4.739 1.446 -1.064 0.00 0.00 H+0 HETATM 73 H UNK 0 7.307 2.270 -0.711 0.00 0.00 H+0 HETATM 74 H UNK 0 9.395 0.679 -1.296 0.00 0.00 H+0 HETATM 75 H UNK 0 9.018 -0.052 -2.930 0.00 0.00 H+0 HETATM 76 H UNK 0 8.655 1.717 -2.536 0.00 0.00 H+0 HETATM 77 H UNK 0 3.368 -2.152 -1.164 0.00 0.00 H+0 HETATM 78 H UNK 0 3.306 -0.624 -2.212 0.00 0.00 H+0 HETATM 79 H UNK 0 1.218 -1.276 -2.780 0.00 0.00 H+0 HETATM 80 H UNK 0 1.166 -2.532 -1.528 0.00 0.00 H+0 HETATM 81 H UNK 0 1.275 1.656 -0.992 0.00 0.00 H+0 HETATM 82 H UNK 0 1.469 0.782 -2.509 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.182 1.122 -1.992 0.00 0.00 H+0 CONECT 1 2 40 41 42 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 43 44 CONECT 6 5 7 15 19 CONECT 7 6 8 45 46 CONECT 8 7 9 47 48 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 14 15 CONECT 13 12 49 50 51 CONECT 14 12 52 53 54 CONECT 15 12 16 6 55 CONECT 16 15 17 56 57 CONECT 17 16 18 58 CONECT 18 17 19 38 CONECT 19 18 20 6 21 CONECT 20 19 21 CONECT 21 20 22 19 59 CONECT 22 21 23 60 61 CONECT 23 22 24 25 38 CONECT 24 23 62 63 64 CONECT 25 23 26 36 65 CONECT 26 25 27 28 66 CONECT 27 26 67 68 69 CONECT 28 26 29 35 70 CONECT 29 28 30 71 72 CONECT 30 29 31 73 CONECT 31 30 32 33 CONECT 32 31 74 75 76 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 28 CONECT 36 25 37 77 78 CONECT 37 36 38 79 80 CONECT 38 37 39 18 23 CONECT 39 38 81 82 83 CONECT 40 1 CONECT 41 1 CONECT 42 1 CONECT 43 5 CONECT 44 5 CONECT 45 7 CONECT 46 7 CONECT 47 8 CONECT 48 8 CONECT 49 13 CONECT 50 13 CONECT 51 13 CONECT 52 14 CONECT 53 14 CONECT 54 14 CONECT 55 15 CONECT 56 16 CONECT 57 16 CONECT 58 17 CONECT 59 21 CONECT 60 22 CONECT 61 22 CONECT 62 24 CONECT 63 24 CONECT 64 24 CONECT 65 25 CONECT 66 26 CONECT 67 27 CONECT 68 27 CONECT 69 27 CONECT 70 28 CONECT 71 29 CONECT 72 29 CONECT 73 30 CONECT 74 32 CONECT 75 32 CONECT 76 32 CONECT 77 36 CONECT 78 36 CONECT 79 37 CONECT 80 37 CONECT 81 39 CONECT 82 39 CONECT 83 39 MASTER 0 0 0 0 0 0 0 0 83 0 176 0 END SMILES for NP0019529 (Ganodermalactone K)[H]C1=C(C(=O)O[C@@]([H])(C1([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C([H])C([H])([H])[C@]4([H])[C@](C([H])([H])OC(=O)C([H])([H])[H])(C([H])([H])C([H])([H])C(=O)OC4(C([H])([H])[H])C([H])([H])[H])[C@]33O[C@]3([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0019529 (Ganodermalactone K)InChI=1S/C32H44O7/c1-18-8-9-22(37-27(18)35)19(2)21-12-14-29(6)24-11-10-23-28(4,5)39-26(34)13-15-31(23,17-36-20(3)33)32(24)25(38-32)16-30(21,29)7/h8,11,19,21-23,25H,9-10,12-17H2,1-7H3/t19-,21+,22-,23-,25+,29-,30+,31+,32-/m0/s1 3D Structure for NP0019529 (Ganodermalactone K) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C32H44O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 540.6970 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 540.30870 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | [(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@@H]([C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@](COC(C)=O)(CCC(=O)OC4(C)C)[C@]33O[C@@H]3C[C@]12C)[C@@H]1CC=C(C)C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C32H44O7/c1-18-8-9-22(37-27(18)35)19(2)21-12-14-29(6)24-11-10-23-28(4,5)39-26(34)13-15-31(23,17-36-20(3)33)32(24)25(38-32)16-30(21,29)7/h8,11,19,21-23,25H,9-10,12-17H2,1-7H3/t19-,21+,22-,23-,25+,29-,30+,31+,32-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FYIANMAHJHGDPG-XRUYFVBTSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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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 |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA025101 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 145720873 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |