Showing NP-Card for Lucidumol A (NP0023856)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:53:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:42:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0023856 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Lucidumol A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Lucidumol A is found in Ganoderma lucidum. It was first documented in 1998 (PMID: 9810695). Based on a literature review very few articles have been published on Lucidumol A. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0023856 (Lucidumol A)Mrv1652307042108213D 82 85 0 0 0 0 999 V2000 3.8290 2.1254 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 1.1720 1.1285 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6242 1.4340 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0966 1.1712 -0.2904 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5780 -0.2037 -0.0155 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0217 -0.0633 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -1.1927 -1.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1815 -2.4383 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -1.6663 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -0.6535 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 1.4498 1.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2244 2.8757 1.0344 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2705 2.8019 0.7991 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6318 1.3904 1.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6604 1.3778 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.8585 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -0.4728 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3211 1.1913 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5089 -0.7819 0.9732 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6023 0.6606 0.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5267 0.8920 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 -1.1037 -0.1503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6116 -1.4453 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -2.4054 0.5506 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7766 -2.8285 0.5539 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4967 -2.2278 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 -2.8749 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.7454 -0.6869 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6886 -0.2703 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.3630 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -0.1682 -0.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8659 1.1154 -0.8319 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8151 1.7532 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 3.0028 0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 3.1549 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 1.7408 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 2.0834 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.1708 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 2.5220 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.7876 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 1.9474 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.4149 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.6192 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 0.7150 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -2.4782 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 -2.4176 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -3.3618 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.2863 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.7928 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -1.4532 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -1.2848 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.3290 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 3.2860 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 3.5045 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.5366 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 2.9937 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 1.3969 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.4921 3.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 2.3334 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -2.3174 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.5246 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 -1.0074 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -1.3304 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 0.9555 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.8416 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.0065 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -1.9402 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -0.6121 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -2.2209 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.3402 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.2205 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -2.5012 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 -3.9427 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 0.8362 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 -0.6095 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -0.6629 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -1.1717 -2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9078 -0.1685 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 0.5473 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 0.1016 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.9590 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.7526 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 6 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 17 22 1 0 0 0 0 22 23 1 6 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 28 29 1 1 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 20 11 1 0 0 0 0 31 22 1 0 0 0 0 20 14 1 0 0 0 0 33 16 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 2 38 1 1 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 1 0 0 0 6 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 51 1 0 0 0 0 11 52 1 1 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 1 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 M END 3D MOL for NP0023856 (Lucidumol A)RDKit 3D 82 85 0 0 0 0 0 0 0 0999 V2000 3.8290 2.1254 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 1.1720 1.1285 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6242 1.4340 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 1.1712 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -0.2037 -0.0155 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0217 -0.0633 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -1.1927 -1.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1815 -2.4383 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -1.6663 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -0.6535 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 1.4498 1.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2244 2.8757 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 2.8019 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 1.3904 1.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6604 1.3778 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.8585 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -0.4728 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3211 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 -0.7819 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 0.6606 0.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5267 0.8920 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 -1.1037 -0.1503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6116 -1.4453 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -2.4054 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 -2.8285 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -2.2278 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 -2.8749 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.7454 -0.6869 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6886 -0.2703 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.3630 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -0.1682 -0.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8659 1.1154 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 1.7532 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 3.0028 0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 3.1549 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 1.7408 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 2.0834 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.1708 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 2.5220 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.7876 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 1.9474 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.4149 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.6192 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 0.7150 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -2.4782 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 -2.4176 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -3.3618 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.2863 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.7928 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -1.4532 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -1.2848 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.3290 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 3.2860 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 3.5045 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.5366 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 2.9937 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 1.3969 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.4921 3.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 2.3334 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -2.3174 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.5246 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 -1.0074 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -1.3304 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 0.9555 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.8416 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.0065 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -1.9402 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -0.6121 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -2.2209 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.3402 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.2205 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -2.5012 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 -3.9427 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 0.8362 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 -0.6095 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -0.6629 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -1.1717 -2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9078 -0.1685 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 0.5473 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 0.1016 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.9590 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.7526 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 7 10 1 6 2 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 17 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 1 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 20 11 1 0 31 22 1 0 20 14 1 0 33 16 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 1 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 1 6 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 11 52 1 1 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 15 57 1 0 15 58 1 0 15 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 21 64 1 0 21 65 1 0 21 66 1 0 23 67 1 0 23 68 1 0 23 69 1 0 24 70 1 0 24 71 1 0 25 72 1 0 25 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 1 32 81 1 0 32 82 1 0 M END 3D SDF for NP0023856 (Lucidumol A)Mrv1652307042108213D 82 85 0 0 0 0 999 V2000 3.8290 2.1254 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 1.1720 1.1285 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6242 1.4340 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0966 1.1712 -0.2904 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5780 -0.2037 -0.0155 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0217 -0.0633 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -1.1927 -1.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1815 -2.4383 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -1.6663 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -0.6535 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 1.4498 1.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2244 2.8757 1.0344 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2705 2.8019 0.7991 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6318 1.3904 1.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6604 1.3778 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.8585 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -0.4728 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3211 1.1913 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5089 -0.7819 0.9732 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6023 0.6606 0.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5267 0.8920 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 -1.1037 -0.1503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6116 -1.4453 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -2.4054 0.5506 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7766 -2.8285 0.5539 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4967 -2.2278 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 -2.8749 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.7454 -0.6869 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6886 -0.2703 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.3630 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -0.1682 -0.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8659 1.1154 -0.8319 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8151 1.7532 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 3.0028 0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 3.1549 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 1.7408 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 2.0834 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.1708 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 2.5220 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.7876 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 1.9474 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.4149 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.6192 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 0.7150 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -2.4782 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 -2.4176 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -3.3618 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.2863 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.7928 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -1.4532 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -1.2848 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.3290 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 3.2860 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 3.5045 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.5366 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 2.9937 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 1.3969 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.4921 3.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 2.3334 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -2.3174 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.5246 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 -1.0074 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -1.3304 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 0.9555 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.8416 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.0065 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -1.9402 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -0.6121 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -2.2209 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.3402 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.2205 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -2.5012 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 -3.9427 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 0.8362 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 -0.6095 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -0.6629 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -1.1717 -2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9078 -0.1685 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 0.5473 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 0.1016 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.9590 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.7526 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 6 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 17 22 1 0 0 0 0 22 23 1 6 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 28 29 1 1 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 20 11 1 0 0 0 0 31 22 1 0 0 0 0 20 14 1 0 0 0 0 33 16 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 2 38 1 1 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 1 0 0 0 6 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 51 1 0 0 0 0 11 52 1 1 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 1 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 M END > <DATABASE_ID> NP0023856 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22+,24+,28-,29-,30+/m1/s1 > <INCHI_KEY> LVGCWXNRZNCAJG-AMKDLFIQSA-N > <FORMULA> C30H48O4 > <MOLECULAR_WEIGHT> 472.71 > <EXACT_MASS> 472.355260026 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 82 > <JCHEM_AVERAGE_POLARIZABILITY> 55.96828953565609 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,9-dione > <ALOGPS_LOGP> 5.49 > <JCHEM_LOGP> 5.462478054666668 > <ALOGPS_LOGS> -5.20 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 15.325058064749413 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.849640921197551 > <JCHEM_PKA_STRONGEST_BASIC> -3.0890278698781684 > <JCHEM_POLAR_SURFACE_AREA> 74.6 > <JCHEM_REFRACTIVITY> 136.76319999999996 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.01e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,9-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0023856 (Lucidumol A)RDKit 3D 82 85 0 0 0 0 0 0 0 0999 V2000 3.8290 2.1254 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 1.1720 1.1285 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6242 1.4340 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 1.1712 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -0.2037 -0.0155 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0217 -0.0633 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -1.1927 -1.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1815 -2.4383 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -1.6663 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -0.6535 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 1.4498 1.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2244 2.8757 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 2.8019 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 1.3904 1.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6604 1.3778 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.8585 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -0.4728 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3211 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 -0.7819 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 0.6606 0.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5267 0.8920 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 -1.1037 -0.1503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6116 -1.4453 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -2.4054 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 -2.8285 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -2.2278 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 -2.8749 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.7454 -0.6869 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6886 -0.2703 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.3630 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -0.1682 -0.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8659 1.1154 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 1.7532 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 3.0028 0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 3.1549 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 1.7408 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 2.0834 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.1708 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 2.5220 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.7876 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 1.9474 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.4149 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.6192 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 0.7150 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -2.4782 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 -2.4176 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -3.3618 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.2863 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -2.7928 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -1.4532 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -1.2848 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.3290 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 3.2860 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 3.5045 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.5366 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 2.9937 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 1.3969 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.4921 3.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 2.3334 3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -2.3174 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.5246 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 -1.0074 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -1.3304 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 0.9555 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.8416 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.0065 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -1.9402 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -0.6121 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -2.2209 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.3402 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.2205 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -2.5012 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 -3.9427 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 0.8362 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 -0.6095 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -0.6629 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -1.1717 -2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9078 -0.1685 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 0.5473 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 0.1016 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.9590 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.7526 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 7 10 1 6 2 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 17 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 1 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 20 11 1 0 31 22 1 0 20 14 1 0 33 16 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 1 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 1 6 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 11 52 1 1 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 15 57 1 0 15 58 1 0 15 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 21 64 1 0 21 65 1 0 21 66 1 0 23 67 1 0 23 68 1 0 23 69 1 0 24 70 1 0 24 71 1 0 25 72 1 0 25 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 1 32 81 1 0 32 82 1 0 M END PDB for NP0023856 (Lucidumol A)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 3.829 2.125 2.077 0.00 0.00 C+0 HETATM 2 C UNK 0 3.060 1.172 1.129 0.00 0.00 C+0 HETATM 3 C UNK 0 3.624 1.434 -0.231 0.00 0.00 C+0 HETATM 4 C UNK 0 5.097 1.171 -0.290 0.00 0.00 C+0 HETATM 5 C UNK 0 5.578 -0.204 -0.016 0.00 0.00 C+0 HETATM 6 O UNK 0 7.022 -0.063 -0.114 0.00 0.00 O+0 HETATM 7 C UNK 0 5.313 -1.193 -1.160 0.00 0.00 C+0 HETATM 8 C UNK 0 6.181 -2.438 -0.943 0.00 0.00 C+0 HETATM 9 C UNK 0 3.899 -1.666 -1.143 0.00 0.00 C+0 HETATM 10 O UNK 0 5.668 -0.654 -2.376 0.00 0.00 O+0 HETATM 11 C UNK 0 1.647 1.450 1.337 0.00 0.00 C+0 HETATM 12 C UNK 0 1.224 2.876 1.034 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.271 2.802 0.799 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.632 1.390 1.232 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.660 1.378 2.723 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.816 0.859 0.583 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.925 -0.473 0.540 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.877 -1.321 1.191 0.00 0.00 C+0 HETATM 19 C UNK 0 0.509 -0.782 0.973 0.00 0.00 C+0 HETATM 20 C UNK 0 0.602 0.661 0.657 0.00 0.00 C+0 HETATM 21 C UNK 0 0.527 0.892 -0.838 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.080 -1.104 -0.150 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.612 -1.445 -1.553 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.355 -2.405 0.551 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.777 -2.829 0.554 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.497 -2.228 -0.574 0.00 0.00 C+0 HETATM 27 O UNK 0 -6.085 -2.875 -1.419 0.00 0.00 O+0 HETATM 28 C UNK 0 -5.505 -0.745 -0.687 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.689 -0.270 0.167 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.804 -0.363 -2.092 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.246 -0.168 -0.136 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.866 1.115 -0.832 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.815 1.753 0.019 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.817 3.003 0.221 0.00 0.00 O+0 HETATM 35 H UNK 0 3.785 3.155 1.709 0.00 0.00 H+0 HETATM 36 H UNK 0 4.832 1.741 2.281 0.00 0.00 H+0 HETATM 37 H UNK 0 3.257 2.083 3.029 0.00 0.00 H+0 HETATM 38 H UNK 0 3.337 0.171 1.468 0.00 0.00 H+0 HETATM 39 H UNK 0 3.527 2.522 -0.517 0.00 0.00 H+0 HETATM 40 H UNK 0 3.117 0.788 -0.962 0.00 0.00 H+0 HETATM 41 H UNK 0 5.667 1.947 0.296 0.00 0.00 H+0 HETATM 42 H UNK 0 5.395 1.415 -1.362 0.00 0.00 H+0 HETATM 43 H UNK 0 5.399 -0.619 0.965 0.00 0.00 H+0 HETATM 44 H UNK 0 7.229 0.715 0.479 0.00 0.00 H+0 HETATM 45 H UNK 0 6.493 -2.478 0.123 0.00 0.00 H+0 HETATM 46 H UNK 0 7.091 -2.418 -1.553 0.00 0.00 H+0 HETATM 47 H UNK 0 5.625 -3.362 -1.203 0.00 0.00 H+0 HETATM 48 H UNK 0 3.329 -1.286 -2.023 0.00 0.00 H+0 HETATM 49 H UNK 0 3.837 -2.793 -1.278 0.00 0.00 H+0 HETATM 50 H UNK 0 3.354 -1.453 -0.212 0.00 0.00 H+0 HETATM 51 H UNK 0 6.207 -1.285 -2.941 0.00 0.00 H+0 HETATM 52 H UNK 0 1.454 1.329 2.449 0.00 0.00 H+0 HETATM 53 H UNK 0 1.761 3.286 0.154 0.00 0.00 H+0 HETATM 54 H UNK 0 1.484 3.505 1.903 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.836 3.537 1.408 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.533 2.994 -0.260 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.749 1.397 3.024 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.239 0.492 3.199 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.256 2.333 3.171 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.925 -2.317 0.682 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.105 -1.525 2.254 0.00 0.00 H+0 HETATM 62 H UNK 0 1.114 -1.007 1.873 0.00 0.00 H+0 HETATM 63 H UNK 0 1.018 -1.330 0.123 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.562 0.956 -1.138 0.00 0.00 H+0 HETATM 65 H UNK 0 0.972 1.842 -1.146 0.00 0.00 H+0 HETATM 66 H UNK 0 0.900 0.007 -1.419 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.422 -1.940 -2.103 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.131 -0.612 -2.070 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.802 -2.221 -1.410 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.019 -2.340 1.626 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.735 -3.220 0.115 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.303 -2.501 1.493 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.906 -3.943 0.472 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.631 0.836 0.182 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.457 -0.610 1.211 0.00 0.00 H+0 HETATM 76 H UNK 0 -7.636 -0.663 -0.204 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.574 -1.172 -2.830 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.908 -0.169 -2.240 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.302 0.547 -2.450 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.426 0.102 0.935 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.406 0.959 -1.825 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.771 1.753 -0.859 0.00 0.00 H+0 CONECT 1 2 35 36 37 CONECT 2 1 3 11 38 CONECT 3 2 4 39 40 CONECT 4 3 5 41 42 CONECT 5 4 6 7 43 CONECT 6 5 44 CONECT 7 5 8 9 10 CONECT 8 7 45 46 47 CONECT 9 7 48 49 50 CONECT 10 7 51 CONECT 11 2 12 20 52 CONECT 12 11 13 53 54 CONECT 13 12 14 55 56 CONECT 14 13 15 16 20 CONECT 15 14 57 58 59 CONECT 16 14 17 33 CONECT 17 16 18 22 CONECT 18 17 19 60 61 CONECT 19 18 20 62 63 CONECT 20 19 21 11 14 CONECT 21 20 64 65 66 CONECT 22 17 23 24 31 CONECT 23 22 67 68 69 CONECT 24 22 25 70 71 CONECT 25 24 26 72 73 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 31 CONECT 29 28 74 75 76 CONECT 30 28 77 78 79 CONECT 31 28 32 22 80 CONECT 32 31 33 81 82 CONECT 33 32 34 16 CONECT 34 33 CONECT 35 1 CONECT 36 1 CONECT 37 1 CONECT 38 2 CONECT 39 3 CONECT 40 3 CONECT 41 4 CONECT 42 4 CONECT 43 5 CONECT 44 6 CONECT 45 8 CONECT 46 8 CONECT 47 8 CONECT 48 9 CONECT 49 9 CONECT 50 9 CONECT 51 10 CONECT 52 11 CONECT 53 12 CONECT 54 12 CONECT 55 13 CONECT 56 13 CONECT 57 15 CONECT 58 15 CONECT 59 15 CONECT 60 18 CONECT 61 18 CONECT 62 19 CONECT 63 19 CONECT 64 21 CONECT 65 21 CONECT 66 21 CONECT 67 23 CONECT 68 23 CONECT 69 23 CONECT 70 24 CONECT 71 24 CONECT 72 25 CONECT 73 25 CONECT 74 29 CONECT 75 29 CONECT 76 29 CONECT 77 30 CONECT 78 30 CONECT 79 30 CONECT 80 31 CONECT 81 32 CONECT 82 32 MASTER 0 0 0 0 0 0 0 0 82 0 170 0 END SMILES for NP0023856 (Lucidumol A)[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0023856 (Lucidumol A)InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22+,24+,28-,29-,30+/m1/s1 3D Structure for NP0023856 (Lucidumol A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C30H48O4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 472.7100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 472.35526 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,9-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-5,9-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22+,24+,28-,29-,30+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | LVGCWXNRZNCAJG-AMKDLFIQSA-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 | NPA000628 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | C00030692 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 417365 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 475410 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | 168819 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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