Showing NP-Card for Ganoderic acid Jd (NP0010518)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 20:00:40 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:06:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0010518 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Ganoderic acid Jd | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Ganoderic acid Jd is also known as ganoderate JD. Ganoderic acid Jd is found in Ganoderma sinense. It was first documented in 2012 (PMID: 22161763). Based on a literature review very few articles have been published on Ganoderic acid Jd. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0010518 (Ganoderic acid Jd)Mrv1652306242107383D 71 74 0 0 0 0 999 V2000 4.8981 -2.1039 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -0.7357 -0.6987 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0488 -0.0027 0.1523 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6533 1.3741 0.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7032 2.0028 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3768 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 3.2637 1.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 -1.1554 -0.4727 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5322 -2.1604 0.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0121 -2.3785 0.5697 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8102 -3.7214 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.4950 -0.5532 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6896 -2.2470 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -0.9155 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -1.6928 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -1.2108 -0.1079 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3556 0.2204 -0.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7334 0.7366 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5417 0.6265 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5098 -0.0897 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 2.1404 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 2.5616 0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 3.0775 0.1346 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3980 2.5164 -0.3829 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2562 1.0660 0.0101 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2931 1.0494 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 0.5122 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.3077 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.6479 -1.4202 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5991 -0.3467 -0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2389 0.1927 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -2.5097 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -2.7284 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -1.8225 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.2698 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4815 -0.5854 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.1961 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 1.9713 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.3589 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 3.9010 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 -1.8594 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -3.1168 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -1.8528 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -2.2315 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -4.2132 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -3.2529 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -1.7486 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -2.5551 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -2.7611 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -1.3614 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.8798 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 0.1931 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1546 1.4717 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 0.8514 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -0.3224 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -1.0695 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -0.1394 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 0.4214 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.4245 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 4.0209 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.6870 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 3.0610 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.5291 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 0.0361 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 1.6574 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 2.3589 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.2674 -2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.4521 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -0.2203 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 1.3038 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -0.0799 1.7820 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 2 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 8 1 0 0 0 0 30 12 1 0 0 0 0 27 14 1 0 0 0 0 25 17 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 6 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 6 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 1 0 0 0 11 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 6 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END 3D MOL for NP0010518 (Ganoderic acid Jd)RDKit 3D 71 74 0 0 0 0 0 0 0 0999 V2000 4.8981 -2.1039 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -0.7357 -0.6987 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0488 -0.0027 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 1.3741 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 2.0028 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3768 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 3.2637 1.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 -1.1554 -0.4727 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5322 -2.1604 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 -2.3785 0.5697 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8102 -3.7214 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.4950 -0.5532 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6896 -2.2470 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -0.9155 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -1.6928 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -1.2108 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 0.2204 -0.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7334 0.7366 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5417 0.6265 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5098 -0.0897 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 2.1404 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 2.5616 0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 3.0775 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 2.5164 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 1.0660 0.0101 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2931 1.0494 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 0.5122 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.3077 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.6479 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -0.3467 -0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2389 0.1927 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -2.5097 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -2.7284 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -1.8225 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.2698 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4815 -0.5854 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.1961 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 1.9713 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.3589 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 3.9010 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 -1.8594 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -3.1168 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -1.8528 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -2.2315 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -4.2132 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -3.2529 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -1.7486 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -2.5551 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -2.7611 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -1.3614 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.8798 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 0.1931 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1546 1.4717 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 0.8514 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -0.3224 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -1.0695 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -0.1394 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 0.4214 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.4245 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 4.0209 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.6870 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 3.0610 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.5291 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 0.0361 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 1.6574 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 2.3589 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.2674 -2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.4521 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -0.2203 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 1.3038 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -0.0799 1.7820 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 2 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 6 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 18 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 1 30 8 1 0 30 12 1 0 27 14 1 0 25 17 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 6 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 7 40 1 0 8 41 1 6 9 42 1 0 9 43 1 0 10 44 1 1 11 45 1 0 13 46 1 0 13 47 1 0 13 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 6 19 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 20 58 1 0 23 59 1 0 23 60 1 0 24 61 1 0 24 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 31 69 1 0 31 70 1 0 31 71 1 0 M END 3D SDF for NP0010518 (Ganoderic acid Jd)Mrv1652306242107383D 71 74 0 0 0 0 999 V2000 4.8981 -2.1039 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -0.7357 -0.6987 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0488 -0.0027 0.1523 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6533 1.3741 0.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7032 2.0028 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3768 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 3.2637 1.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 -1.1554 -0.4727 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5322 -2.1604 0.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0121 -2.3785 0.5697 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8102 -3.7214 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.4950 -0.5532 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6896 -2.2470 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -0.9155 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -1.6928 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -1.2108 -0.1079 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3556 0.2204 -0.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7334 0.7366 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5417 0.6265 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5098 -0.0897 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 2.1404 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 2.5616 0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 3.0775 0.1346 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3980 2.5164 -0.3829 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2562 1.0660 0.0101 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2931 1.0494 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 0.5122 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.3077 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.6479 -1.4202 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5991 -0.3467 -0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2389 0.1927 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -2.5097 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -2.7284 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -1.8225 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.2698 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4815 -0.5854 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.1961 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 1.9713 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.3589 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 3.9010 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 -1.8594 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -3.1168 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -1.8528 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -2.2315 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -4.2132 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -3.2529 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -1.7486 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -2.5551 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -2.7611 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -1.3614 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.8798 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 0.1931 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1546 1.4717 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 0.8514 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -0.3224 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -1.0695 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -0.1394 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 0.4214 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.4245 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 4.0209 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.6870 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 3.0610 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.5291 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 0.0361 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 1.6574 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 2.3589 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.2674 -2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.4521 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -0.2203 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 1.3038 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -0.0799 1.7820 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 2 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 8 1 0 0 0 0 30 12 1 0 0 0 0 27 14 1 0 0 0 0 25 17 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 6 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 6 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 1 0 0 0 11 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 6 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END > <DATABASE_ID> NP0010518 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@]([H])(O[H])[C@]2(C3=C([H])C([H])([H])[C@@]4([H])C(C(=O)C([H])([H])C([H])([H])[C@@]4(C3=C([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C27H40O4/c1-16(7-10-23(30)31)19-15-22(29)27(6)18-8-9-20-24(2,3)21(28)12-13-25(20,4)17(18)11-14-26(19,27)5/h8,11,16,19-20,22,29H,7,9-10,12-15H2,1-6H3,(H,30,31)/t16-,19-,20+,22+,25-,26-,27-/m1/s1 > <INCHI_KEY> PWADAHTZZKLCAK-XRNZNSMASA-N > <FORMULA> C27H40O4 > <MOLECULAR_WEIGHT> 428.613 > <EXACT_MASS> 428.292659768 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 71 > <JCHEM_AVERAGE_POLARIZABILITY> 49.94758994801407 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (4R)-4-[(2S,7R,11R,12S,14R,15R)-12-hydroxy-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]pentanoic acid > <ALOGPS_LOGP> 5.47 > <JCHEM_LOGP> 4.586648793 > <ALOGPS_LOGS> -4.85 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 19.63517857538889 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.6241547947998205 > <JCHEM_PKA_STRONGEST_BASIC> -0.43533866349327666 > <JCHEM_POLAR_SURFACE_AREA> 74.6 > <JCHEM_REFRACTIVITY> 123.41929999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 6.07e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (4R)-4-[(2S,7R,11R,12S,14R,15R)-12-hydroxy-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]pentanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0010518 (Ganoderic acid Jd)RDKit 3D 71 74 0 0 0 0 0 0 0 0999 V2000 4.8981 -2.1039 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -0.7357 -0.6987 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0488 -0.0027 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 1.3741 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 2.0028 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3768 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 3.2637 1.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 -1.1554 -0.4727 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5322 -2.1604 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 -2.3785 0.5697 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8102 -3.7214 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.4950 -0.5532 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6896 -2.2470 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -0.9155 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -1.6928 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -1.2108 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 0.2204 -0.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7334 0.7366 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5417 0.6265 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5098 -0.0897 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 2.1404 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 2.5616 0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 3.0775 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 2.5164 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 1.0660 0.0101 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2931 1.0494 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 0.5122 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.3077 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.6479 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -0.3467 -0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2389 0.1927 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -2.5097 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -2.7284 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -1.8225 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.2698 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4815 -0.5854 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.1961 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 1.9713 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.3589 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 3.9010 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 -1.8594 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -3.1168 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -1.8528 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -2.2315 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -4.2132 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -3.2529 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -1.7486 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -2.5551 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -2.7611 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -1.3614 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.8798 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 0.1931 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1546 1.4717 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 0.8514 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -0.3224 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -1.0695 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -0.1394 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 0.4214 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 3.4245 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 4.0209 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.6870 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 3.0610 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.5291 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 0.0361 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 1.6574 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 2.3589 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.2674 -2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.4521 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -0.2203 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 1.3038 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -0.0799 1.7820 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 2 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 6 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 18 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 1 30 8 1 0 30 12 1 0 27 14 1 0 25 17 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 6 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 7 40 1 0 8 41 1 6 9 42 1 0 9 43 1 0 10 44 1 1 11 45 1 0 13 46 1 0 13 47 1 0 13 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 6 19 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 20 58 1 0 23 59 1 0 23 60 1 0 24 61 1 0 24 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 31 69 1 0 31 70 1 0 31 71 1 0 M END PDB for NP0010518 (Ganoderic acid Jd)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 4.898 -2.104 -1.016 0.00 0.00 C+0 HETATM 2 C UNK 0 4.145 -0.736 -0.699 0.00 0.00 C+0 HETATM 3 C UNK 0 5.049 -0.003 0.152 0.00 0.00 C+0 HETATM 4 C UNK 0 4.653 1.374 0.595 0.00 0.00 C+0 HETATM 5 C UNK 0 5.703 2.003 1.440 0.00 0.00 C+0 HETATM 6 O UNK 0 6.741 1.377 1.688 0.00 0.00 O+0 HETATM 7 O UNK 0 5.496 3.264 1.927 0.00 0.00 O+0 HETATM 8 C UNK 0 2.802 -1.155 -0.473 0.00 0.00 C+0 HETATM 9 C UNK 0 2.532 -2.160 0.658 0.00 0.00 C+0 HETATM 10 C UNK 0 1.012 -2.378 0.570 0.00 0.00 C+0 HETATM 11 O UNK 0 0.810 -3.721 0.174 0.00 0.00 O+0 HETATM 12 C UNK 0 0.562 -1.495 -0.553 0.00 0.00 C+0 HETATM 13 C UNK 0 0.690 -2.247 -1.817 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.790 -0.916 -0.419 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.823 -1.693 -0.251 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.220 -1.211 -0.108 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.356 0.220 -0.579 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.733 0.737 -0.367 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.542 0.627 -1.666 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.510 -0.090 0.657 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.813 2.140 0.065 0.00 0.00 C+0 HETATM 22 O UNK 0 -5.916 2.562 0.393 0.00 0.00 O+0 HETATM 23 C UNK 0 -3.686 3.078 0.135 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.398 2.516 -0.383 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.256 1.066 0.010 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.293 1.049 1.530 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.981 0.512 -0.482 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.004 1.308 -0.962 0.00 0.00 C+0 HETATM 29 C UNK 0 1.276 0.648 -1.420 0.00 0.00 C+0 HETATM 30 C UNK 0 1.599 -0.347 -0.377 0.00 0.00 C+0 HETATM 31 C UNK 0 1.239 0.193 1.000 0.00 0.00 C+0 HETATM 32 H UNK 0 5.076 -2.510 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 4.241 -2.728 -1.619 0.00 0.00 H+0 HETATM 34 H UNK 0 5.855 -1.823 -1.457 0.00 0.00 H+0 HETATM 35 H UNK 0 4.194 -0.270 -1.738 0.00 0.00 H+0 HETATM 36 H UNK 0 5.481 -0.585 1.016 0.00 0.00 H+0 HETATM 37 H UNK 0 6.005 0.196 -0.450 0.00 0.00 H+0 HETATM 38 H UNK 0 4.475 1.971 -0.335 0.00 0.00 H+0 HETATM 39 H UNK 0 3.697 1.359 1.122 0.00 0.00 H+0 HETATM 40 H UNK 0 6.211 3.901 2.246 0.00 0.00 H+0 HETATM 41 H UNK 0 2.588 -1.859 -1.393 0.00 0.00 H+0 HETATM 42 H UNK 0 3.079 -3.117 0.409 0.00 0.00 H+0 HETATM 43 H UNK 0 2.885 -1.853 1.626 0.00 0.00 H+0 HETATM 44 H UNK 0 0.517 -2.232 1.525 0.00 0.00 H+0 HETATM 45 H UNK 0 0.300 -4.213 0.868 0.00 0.00 H+0 HETATM 46 H UNK 0 1.198 -3.253 -1.726 0.00 0.00 H+0 HETATM 47 H UNK 0 1.079 -1.749 -2.693 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.368 -2.555 -2.108 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.678 -2.761 -0.209 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.512 -1.361 0.949 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.858 -1.880 -0.717 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.165 0.193 -1.685 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.155 1.472 -2.307 0.00 0.00 H+0 HETATM 54 H UNK 0 -6.607 0.851 -1.501 0.00 0.00 H+0 HETATM 55 H UNK 0 -5.349 -0.322 -2.174 0.00 0.00 H+0 HETATM 56 H UNK 0 -5.719 -1.069 0.192 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.015 -0.139 1.626 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.493 0.421 0.765 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.591 3.425 1.188 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.883 4.021 -0.454 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.231 2.687 -1.455 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.592 3.061 0.196 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.227 1.529 1.849 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.234 0.036 1.943 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.430 1.657 1.867 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.128 2.359 -1.018 0.00 0.00 H+0 HETATM 67 H UNK 0 1.062 0.267 -2.424 0.00 0.00 H+0 HETATM 68 H UNK 0 2.033 1.452 -1.541 0.00 0.00 H+0 HETATM 69 H UNK 0 0.298 -0.220 1.415 0.00 0.00 H+0 HETATM 70 H UNK 0 1.084 1.304 0.965 0.00 0.00 H+0 HETATM 71 H UNK 0 1.989 -0.080 1.782 0.00 0.00 H+0 CONECT 1 2 32 33 34 CONECT 2 1 3 8 35 CONECT 3 2 4 36 37 CONECT 4 3 5 38 39 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 40 CONECT 8 2 9 30 41 CONECT 9 8 10 42 43 CONECT 10 9 11 12 44 CONECT 11 10 45 CONECT 12 10 13 14 30 CONECT 13 12 46 47 48 CONECT 14 12 15 27 CONECT 15 14 16 49 CONECT 16 15 17 50 51 CONECT 17 16 18 25 52 CONECT 18 17 19 20 21 CONECT 19 18 53 54 55 CONECT 20 18 56 57 58 CONECT 21 18 22 23 CONECT 22 21 CONECT 23 21 24 59 60 CONECT 24 23 25 61 62 CONECT 25 24 26 27 17 CONECT 26 25 63 64 65 CONECT 27 25 28 14 CONECT 28 27 29 66 CONECT 29 28 30 67 68 CONECT 30 29 31 8 12 CONECT 31 30 69 70 71 CONECT 32 1 CONECT 33 1 CONECT 34 1 CONECT 35 2 CONECT 36 3 CONECT 37 3 CONECT 38 4 CONECT 39 4 CONECT 40 7 CONECT 41 8 CONECT 42 9 CONECT 43 9 CONECT 44 10 CONECT 45 11 CONECT 46 13 CONECT 47 13 CONECT 48 13 CONECT 49 15 CONECT 50 16 CONECT 51 16 CONECT 52 17 CONECT 53 19 CONECT 54 19 CONECT 55 19 CONECT 56 20 CONECT 57 20 CONECT 58 20 CONECT 59 23 CONECT 60 23 CONECT 61 24 CONECT 62 24 CONECT 63 26 CONECT 64 26 CONECT 65 26 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 31 CONECT 70 31 CONECT 71 31 MASTER 0 0 0 0 0 0 0 0 71 0 148 0 END SMILES for NP0010518 (Ganoderic acid Jd)[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@]([H])(O[H])[C@]2(C3=C([H])C([H])([H])[C@@]4([H])C(C(=O)C([H])([H])C([H])([H])[C@@]4(C3=C([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0010518 (Ganoderic acid Jd)InChI=1S/C27H40O4/c1-16(7-10-23(30)31)19-15-22(29)27(6)18-8-9-20-24(2,3)21(28)12-13-25(20,4)17(18)11-14-26(19,27)5/h8,11,16,19-20,22,29H,7,9-10,12-15H2,1-6H3,(H,30,31)/t16-,19-,20+,22+,25-,26-,27-/m1/s1 3D Structure for NP0010518 (Ganoderic acid Jd) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C27H40O4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 428.6130 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 428.29266 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (4R)-4-[(2S,7R,11R,12S,14R,15R)-12-hydroxy-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]pentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (4R)-4-[(2S,7R,11R,12S,14R,15R)-12-hydroxy-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-14-yl]pentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@H](CCC(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C27H40O4/c1-16(7-10-23(30)31)19-15-22(29)27(6)18-8-9-20-24(2,3)21(28)12-13-25(20,4)17(18)11-14-26(19,27)5/h8,11,16,19-20,22,29H,7,9-10,12-15H2,1-6H3,(H,30,31)/t16-,19-,20?,22+,25-,26-,27-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | PWADAHTZZKLCAK-XRNZNSMASA-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 | NPA011695 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78441181 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139586346 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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