Showing NP-Card for Lepiotaprocerin K (NP0017745)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 02:24:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:26:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0017745 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Lepiotaprocerin K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Lepiotaprocerin K is found in Macrolepiota procera. It was first documented in 2018 (PMID: 29510036). Based on a literature review very few articles have been published on Lepiotaprocerin K. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0017745 (Lepiotaprocerin K)Mrv1652307042107283D 80 84 0 0 0 0 999 V2000 3.4032 0.4191 -4.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.1979 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 2.4437 -3.6746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 0.5563 -2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.2085 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0188 1.1371 -1.8918 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4305 0.9418 -0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4004 2.2492 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.2567 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.1244 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.2325 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 0.6335 3.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.1202 1.5205 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6359 -0.0286 0.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3668 -1.3467 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.6662 -0.3792 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1617 -0.0504 -0.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3958 -1.2542 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -0.2873 1.1818 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8684 -1.0084 1.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9709 -0.2517 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 0.0880 1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 0.8588 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -0.4228 2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9223 -0.2933 4.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 -1.0714 2.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -0.1066 1.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6113 -1.4198 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 0.9462 2.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 1.0598 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 0.1502 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -0.0575 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -0.5280 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6145 0.0876 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -2.0001 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.1558 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7260 -0.9982 -1.0021 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5091 -0.2207 -1.4996 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2525 -0.2248 -4.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.0670 -5.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -0.2700 -5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.2949 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 2.1335 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 0.3792 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 3.1064 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 2.4768 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 2.2601 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.5304 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.2123 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.6387 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -1.3290 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -2.1748 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.5693 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.7227 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -1.4410 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.1490 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.2728 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.9796 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 0.6520 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -2.0383 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.0040 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1959 1.5434 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 0.1900 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 1.5138 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.3535 2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.5064 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -2.2868 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.5905 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 1.8331 2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4487 -0.4295 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6825 0.0418 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3541 1.1750 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4271 -2.3600 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 -2.6010 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 -2.2839 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 0.8924 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.1142 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.9588 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.8336 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.6814 -2.0217 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 10 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 16 5 1 0 0 0 0 26 20 1 0 0 0 0 36 27 1 0 0 0 0 14 7 1 0 0 0 0 38 9 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 5 42 1 1 0 0 0 6 43 1 0 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 13 48 1 0 0 0 0 13 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 1 0 0 0 17 54 1 6 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 6 0 0 0 21 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 6 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 M END 3D MOL for NP0017745 (Lepiotaprocerin K)RDKit 3D 80 84 0 0 0 0 0 0 0 0999 V2000 3.4032 0.4191 -4.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.1979 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 2.4437 -3.6746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 0.5563 -2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.2085 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0188 1.1371 -1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9418 -0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4004 2.2492 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.2567 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.1244 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.2325 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 0.6335 3.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.1202 1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.0286 0.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3668 -1.3467 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.6662 -0.3792 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1617 -0.0504 -0.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3958 -1.2542 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -0.2873 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8684 -1.0084 1.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9709 -0.2517 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 0.0880 1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 0.8588 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -0.4228 2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9223 -0.2933 4.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 -1.0714 2.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -0.1066 1.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6113 -1.4198 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 0.9462 2.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 1.0598 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 0.1502 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -0.0575 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -0.5280 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6145 0.0876 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -2.0001 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.1558 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7260 -0.9982 -1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 -0.2207 -1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -0.2248 -4.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.0670 -5.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -0.2700 -5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.2949 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 2.1335 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 0.3792 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 3.1064 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 2.4768 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 2.2601 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.5304 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.2123 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.6387 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -1.3290 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -2.1748 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.5693 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.7227 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -1.4410 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.1490 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.2728 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.9796 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 0.6520 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -2.0383 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.0040 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1959 1.5434 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 0.1900 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 1.5138 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.3535 2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.5064 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -2.2868 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.5905 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 1.8331 2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4487 -0.4295 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6825 0.0418 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3541 1.1750 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4271 -2.3600 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 -2.6010 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 -2.2839 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 0.8924 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.1142 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.9588 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.8336 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.6814 -2.0217 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 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 10 27 1 0 27 28 1 1 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 6 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 16 5 1 0 26 20 1 0 36 27 1 0 14 7 1 0 38 9 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 1 6 43 1 0 6 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 13 48 1 0 13 49 1 0 15 50 1 0 15 51 1 0 15 52 1 0 16 53 1 1 17 54 1 6 18 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 6 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 30 69 1 0 34 70 1 0 34 71 1 0 34 72 1 0 35 73 1 0 35 74 1 0 35 75 1 0 36 76 1 6 37 77 1 0 37 78 1 0 38 79 1 0 38 80 1 0 M END 3D SDF for NP0017745 (Lepiotaprocerin K)Mrv1652307042107283D 80 84 0 0 0 0 999 V2000 3.4032 0.4191 -4.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.1979 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 2.4437 -3.6746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 0.5563 -2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.2085 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0188 1.1371 -1.8918 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4305 0.9418 -0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4004 2.2492 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.2567 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.1244 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.2325 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 0.6335 3.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.1202 1.5205 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6359 -0.0286 0.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3668 -1.3467 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.6662 -0.3792 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1617 -0.0504 -0.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3958 -1.2542 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -0.2873 1.1818 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8684 -1.0084 1.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9709 -0.2517 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 0.0880 1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 0.8588 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -0.4228 2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9223 -0.2933 4.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 -1.0714 2.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -0.1066 1.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6113 -1.4198 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 0.9462 2.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 1.0598 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 0.1502 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -0.0575 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -0.5280 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6145 0.0876 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -2.0001 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.1558 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7260 -0.9982 -1.0021 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5091 -0.2207 -1.4996 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2525 -0.2248 -4.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.0670 -5.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -0.2700 -5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.2949 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 2.1335 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 0.3792 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 3.1064 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 2.4768 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 2.2601 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.5304 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.2123 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.6387 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -1.3290 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -2.1748 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.5693 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.7227 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -1.4410 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.1490 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.2728 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.9796 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 0.6520 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -2.0383 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.0040 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1959 1.5434 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 0.1900 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 1.5138 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.3535 2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.5064 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -2.2868 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.5905 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 1.8331 2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4487 -0.4295 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6825 0.0418 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3541 1.1750 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4271 -2.3600 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 -2.6010 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 -2.2839 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 0.8924 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.1142 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.9588 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.8336 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.6814 -2.0217 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 10 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 16 5 1 0 0 0 0 26 20 1 0 0 0 0 36 27 1 0 0 0 0 14 7 1 0 0 0 0 38 9 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 5 42 1 1 0 0 0 6 43 1 0 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 13 48 1 0 0 0 0 13 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 1 0 0 0 17 54 1 6 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 6 0 0 0 21 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 6 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 M END > <DATABASE_ID> NP0017745 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C1=C(C(=O)O[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]2(C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@]1(C([H])=C([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C32H42O6/c1-17(13-20-14-18(2)28(36)38-20)26-23(37-19(3)33)16-31(7)21-9-10-24-29(4,5)25(35)11-12-30(24,6)27(21)22(34)15-32(26,31)8/h11-12,14,17,20,23-24,26H,9-10,13,15-16H2,1-8H3/t17-,20+,23+,24+,26+,30+,31+,32-/m1/s1 > <INCHI_KEY> FCOHRICIHWBLBL-IHBQTOFZSA-N > <FORMULA> C32H42O6 > <MOLECULAR_WEIGHT> 522.682 > <EXACT_MASS> 522.298139072 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 80 > <JCHEM_AVERAGE_POLARIZABILITY> 58.84028922490849 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S,7R,11R,13S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-1-[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]propan-2-yl]-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),3-dien-13-yl acetate > <ALOGPS_LOGP> 4.36 > <JCHEM_LOGP> 5.591786958333333 > <ALOGPS_LOGS> -5.63 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.584302437802286 > <JCHEM_PKA_STRONGEST_BASIC> -5.008404330090158 > <JCHEM_POLAR_SURFACE_AREA> 86.74000000000001 > <JCHEM_REFRACTIVITY> 145.99339999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.22e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S,7R,11R,13S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),3-dien-13-yl acetate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0017745 (Lepiotaprocerin K)RDKit 3D 80 84 0 0 0 0 0 0 0 0999 V2000 3.4032 0.4191 -4.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.1979 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 2.4437 -3.6746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 0.5563 -2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.2085 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0188 1.1371 -1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9418 -0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4004 2.2492 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.2567 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.1244 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.2325 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 0.6335 3.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.1202 1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.0286 0.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3668 -1.3467 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.6662 -0.3792 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1617 -0.0504 -0.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3958 -1.2542 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -0.2873 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8684 -1.0084 1.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9709 -0.2517 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 0.0880 1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 0.8588 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -0.4228 2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9223 -0.2933 4.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 -1.0714 2.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -0.1066 1.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6113 -1.4198 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 0.9462 2.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 1.0598 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 0.1502 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -0.0575 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -0.5280 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6145 0.0876 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -2.0001 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.1558 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7260 -0.9982 -1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 -0.2207 -1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -0.2248 -4.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.0670 -5.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -0.2700 -5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.2949 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 2.1335 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 0.3792 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 3.1064 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 2.4768 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 2.2601 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.5304 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.2123 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.6387 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -1.3290 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -2.1748 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.5693 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.7227 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -1.4410 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.1490 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.2728 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.9796 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 0.6520 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -2.0383 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.0040 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1959 1.5434 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 0.1900 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 1.5138 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.3535 2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.5064 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -2.2868 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.5905 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 1.8331 2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4487 -0.4295 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6825 0.0418 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3541 1.1750 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4271 -2.3600 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 -2.6010 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 -2.2839 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 0.8924 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.1142 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.9588 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.8336 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.6814 -2.0217 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 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 10 27 1 0 27 28 1 1 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 6 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 16 5 1 0 26 20 1 0 36 27 1 0 14 7 1 0 38 9 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 1 6 43 1 0 6 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 13 48 1 0 13 49 1 0 15 50 1 0 15 51 1 0 15 52 1 0 16 53 1 1 17 54 1 6 18 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 6 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 30 69 1 0 34 70 1 0 34 71 1 0 34 72 1 0 35 73 1 0 35 74 1 0 35 75 1 0 36 76 1 6 37 77 1 0 37 78 1 0 38 79 1 0 38 80 1 0 M END PDB for NP0017745 (Lepiotaprocerin 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 3.403 0.419 -4.888 0.00 0.00 C+0 HETATM 2 C UNK 0 2.855 1.198 -3.747 0.00 0.00 C+0 HETATM 3 O UNK 0 3.119 2.444 -3.675 0.00 0.00 O+0 HETATM 4 O UNK 0 2.091 0.556 -2.818 0.00 0.00 O+0 HETATM 5 C UNK 0 1.546 1.208 -1.731 0.00 0.00 C+0 HETATM 6 C UNK 0 0.019 1.137 -1.892 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.431 0.942 -0.488 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.400 2.249 0.229 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.737 0.257 -0.353 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.129 0.124 0.929 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.032 0.233 1.891 0.00 0.00 C+0 HETATM 12 O UNK 0 -1.294 0.634 3.062 0.00 0.00 O+0 HETATM 13 C UNK 0 0.388 -0.120 1.521 0.00 0.00 C+0 HETATM 14 C UNK 0 0.636 -0.029 0.053 0.00 0.00 C+0 HETATM 15 C UNK 0 0.367 -1.347 -0.598 0.00 0.00 C+0 HETATM 16 C UNK 0 1.869 0.666 -0.379 0.00 0.00 C+0 HETATM 17 C UNK 0 3.162 -0.050 -0.262 0.00 0.00 C+0 HETATM 18 C UNK 0 3.396 -1.254 -1.067 0.00 0.00 C+0 HETATM 19 C UNK 0 3.532 -0.287 1.182 0.00 0.00 C+0 HETATM 20 C UNK 0 4.868 -1.008 1.327 0.00 0.00 C+0 HETATM 21 C UNK 0 5.971 -0.252 0.731 0.00 0.00 C+0 HETATM 22 C UNK 0 6.833 0.088 1.667 0.00 0.00 C+0 HETATM 23 C UNK 0 8.103 0.859 1.541 0.00 0.00 C+0 HETATM 24 C UNK 0 6.363 -0.423 2.970 0.00 0.00 C+0 HETATM 25 O UNK 0 6.922 -0.293 4.083 0.00 0.00 O+0 HETATM 26 O UNK 0 5.187 -1.071 2.725 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.523 -0.107 1.339 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.611 -1.420 2.093 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.066 0.946 2.216 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.382 1.060 2.319 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.239 0.150 1.570 0.00 0.00 C+0 HETATM 32 O UNK 0 -7.397 -0.058 2.001 0.00 0.00 O+0 HETATM 33 C UNK 0 -5.802 -0.528 0.339 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.614 0.088 -0.807 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.053 -2.000 0.325 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.361 -0.156 0.075 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.726 -0.998 -1.002 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.509 -0.221 -1.500 0.00 0.00 C+0 HETATM 39 H UNK 0 4.253 -0.225 -4.516 0.00 0.00 H+0 HETATM 40 H UNK 0 3.813 1.067 -5.666 0.00 0.00 H+0 HETATM 41 H UNK 0 2.611 -0.270 -5.226 0.00 0.00 H+0 HETATM 42 H UNK 0 1.860 2.295 -1.798 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.333 2.134 -2.231 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.290 0.379 -2.608 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.160 3.106 -0.465 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.448 2.477 0.577 0.00 0.00 H+0 HETATM 47 H UNK 0 0.221 2.260 1.137 0.00 0.00 H+0 HETATM 48 H UNK 0 1.011 0.530 2.143 0.00 0.00 H+0 HETATM 49 H UNK 0 0.450 -1.212 1.809 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.684 -1.639 -0.292 0.00 0.00 H+0 HETATM 51 H UNK 0 0.340 -1.329 -1.699 0.00 0.00 H+0 HETATM 52 H UNK 0 0.995 -2.175 -0.187 0.00 0.00 H+0 HETATM 53 H UNK 0 1.962 1.569 0.301 0.00 0.00 H+0 HETATM 54 H UNK 0 3.930 0.723 -0.604 0.00 0.00 H+0 HETATM 55 H UNK 0 2.721 -1.441 -1.925 0.00 0.00 H+0 HETATM 56 H UNK 0 3.384 -2.149 -0.367 0.00 0.00 H+0 HETATM 57 H UNK 0 4.423 -1.273 -1.491 0.00 0.00 H+0 HETATM 58 H UNK 0 2.806 -0.980 1.696 0.00 0.00 H+0 HETATM 59 H UNK 0 3.614 0.652 1.757 0.00 0.00 H+0 HETATM 60 H UNK 0 4.863 -2.038 0.983 0.00 0.00 H+0 HETATM 61 H UNK 0 6.073 -0.004 -0.309 0.00 0.00 H+0 HETATM 62 H UNK 0 8.196 1.543 2.423 0.00 0.00 H+0 HETATM 63 H UNK 0 8.989 0.190 1.442 0.00 0.00 H+0 HETATM 64 H UNK 0 8.021 1.514 0.649 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.851 -1.353 2.918 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.583 -1.506 2.586 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.314 -2.287 1.487 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.401 1.591 2.746 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.795 1.833 2.963 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.449 -0.430 -1.755 0.00 0.00 H+0 HETATM 71 H UNK 0 -7.683 0.042 -0.510 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.354 1.175 -0.879 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.427 -2.360 1.311 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.173 -2.601 0.003 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.869 -2.284 -0.403 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.379 0.892 -0.318 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.454 -1.114 -1.815 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.333 -1.959 -0.611 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.949 -0.834 -2.216 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.932 0.681 -2.022 0.00 0.00 H+0 CONECT 1 2 39 40 41 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 16 42 CONECT 6 5 7 43 44 CONECT 7 6 8 9 14 CONECT 8 7 45 46 47 CONECT 9 7 10 38 CONECT 10 9 11 27 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 48 49 CONECT 14 13 15 16 7 CONECT 15 14 50 51 52 CONECT 16 14 17 5 53 CONECT 17 16 18 19 54 CONECT 18 17 55 56 57 CONECT 19 17 20 58 59 CONECT 20 19 21 26 60 CONECT 21 20 22 61 CONECT 22 21 23 24 CONECT 23 22 62 63 64 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 20 CONECT 27 10 28 29 36 CONECT 28 27 65 66 67 CONECT 29 27 30 68 CONECT 30 29 31 69 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 36 CONECT 34 33 70 71 72 CONECT 35 33 73 74 75 CONECT 36 33 37 27 76 CONECT 37 36 38 77 78 CONECT 38 37 9 79 80 CONECT 39 1 CONECT 40 1 CONECT 41 1 CONECT 42 5 CONECT 43 6 CONECT 44 6 CONECT 45 8 CONECT 46 8 CONECT 47 8 CONECT 48 13 CONECT 49 13 CONECT 50 15 CONECT 51 15 CONECT 52 15 CONECT 53 16 CONECT 54 17 CONECT 55 18 CONECT 56 18 CONECT 57 18 CONECT 58 19 CONECT 59 19 CONECT 60 20 CONECT 61 21 CONECT 62 23 CONECT 63 23 CONECT 64 23 CONECT 65 28 CONECT 66 28 CONECT 67 28 CONECT 68 29 CONECT 69 30 CONECT 70 34 CONECT 71 34 CONECT 72 34 CONECT 73 35 CONECT 74 35 CONECT 75 35 CONECT 76 36 CONECT 77 37 CONECT 78 37 CONECT 79 38 CONECT 80 38 MASTER 0 0 0 0 0 0 0 0 80 0 168 0 END SMILES for NP0017745 (Lepiotaprocerin K)[H]C1=C(C(=O)O[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]2(C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@]1(C([H])=C([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0017745 (Lepiotaprocerin K)InChI=1S/C32H42O6/c1-17(13-20-14-18(2)28(36)38-20)26-23(37-19(3)33)16-31(7)21-9-10-24-29(4,5)25(35)11-12-30(24,6)27(21)22(34)15-32(26,31)8/h11-12,14,17,20,23-24,26H,9-10,13,15-16H2,1-8H3/t17-,20+,23+,24+,26+,30+,31+,32-/m1/s1 3D Structure for NP0017745 (Lepiotaprocerin K) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C32H42O6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 522.6820 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 522.29814 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S,7R,11R,13S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-1-[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]propan-2-yl]-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),3-dien-13-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S,7R,11R,13S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),3-dien-13-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@H](C[C@@H]1OC(=O)C(C)=C1)[C@H]1[C@H](C[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC3)OC(C)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C32H42O6/c1-17(13-20-14-18(2)28(36)38-20)26-23(37-19(3)33)16-31(7)21-9-10-24-29(4,5)25(35)11-12-30(24,6)27(21)22(34)15-32(26,31)8/h11-12,14,17,20,23-24,26H,9-10,13,15-16H2,1-8H3/t17-,20+,23+,24+,26+,30+,31+,32-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FCOHRICIHWBLBL-IHBQTOFZSA-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 | NPA027974 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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 | 146684196 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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