Showing NP-Card for Momordicine V (NP0140747)
Record Information | ||||||||||||||||
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Version | 2.0 | |||||||||||||||
Created at | 2022-06-29 21:49:57 UTC | |||||||||||||||
Updated at | 2022-06-29 21:49:57 UTC | |||||||||||||||
NP-MRD ID | NP0140747 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | Momordicine V | |||||||||||||||
Description | It was first documented in 2007 (PMID: 17913080). Based on a literature review very few articles have been published on Momordicine V. | |||||||||||||||
Structure | MOL for NP0140747 (Momordicine V)Mrv1652306292223492D 51 55 0 0 1 0 999 V2000 4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -0.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5628 -0.3415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8737 0.4227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3674 1.0740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5501 0.9612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2392 0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0438 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 -0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 2.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 3.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 10 9 1 6 0 0 0 10 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 0 0 0 0 10 15 1 0 0 0 0 14 16 1 6 0 0 0 16 17 1 0 0 0 0 13 18 1 1 0 0 0 12 19 1 6 0 0 0 11 20 1 1 0 0 0 21 2 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 32 1 6 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 6 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 30 47 1 6 0 0 0 28 48 1 6 0 0 0 48 49 2 0 0 0 0 25 50 1 6 0 0 0 24 51 1 1 0 0 0 M END 3D MOL for NP0140747 (Momordicine V)RDKit 3D 111115 0 0 0 0 0 0 0 0999 V2000 4.0165 3.6500 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 2.3814 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 2.5369 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 1.2582 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 -0.0522 -0.5167 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7049 -0.4135 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 -0.4942 -0.2591 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4848 -1.5756 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 -0.5323 0.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1309 0.5436 1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 0.4381 2.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -0.5452 1.2273 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8213 -1.8982 1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.1087 0.9240 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3706 -0.4558 2.0267 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9581 0.1314 3.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7112 0.0143 1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -0.3812 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 -1.2689 -0.2868 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7508 -1.6957 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2078 -1.9066 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1191 -1.1140 -0.8483 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1858 -0.5002 -1.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5162 -0.7334 -1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8629 -1.5499 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5309 -0.0007 -2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4568 0.6778 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3301 0.5627 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4894 1.4596 -1.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4927 -0.0099 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3676 0.1896 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6123 1.2670 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 -0.3795 -0.4169 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5171 0.9283 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 1.9528 -0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -0.8445 -1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -1.2149 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -0.3101 -0.0245 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2681 1.0976 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 0.0710 -0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 -0.6720 -0.6478 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6518 -1.5371 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 -1.0230 0.9486 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2523 -0.0456 2.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3984 -0.5872 2.9519 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 -0.3837 0.1148 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0020 -1.0291 0.2638 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3403 -0.3260 -1.3496 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1538 0.5624 -2.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 0.2960 -1.3336 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5469 0.4683 -2.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 3.5322 -2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 4.5304 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 3.8017 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 1.7969 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 3.5358 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 2.6788 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 1.2922 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 -0.7801 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 0.3220 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -1.4090 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 0.4667 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -1.2596 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -2.3807 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -2.1541 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 -1.4957 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.5542 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 0.3016 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.0643 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 1.4160 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -2.6768 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -1.8960 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.3699 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 1.0279 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -1.5380 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 0.4125 3.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 0.6479 2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0018 -2.1374 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 -2.7019 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3665 -0.9875 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 -3.0112 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4833 -1.6841 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6386 -1.8001 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1296 -0.7192 -2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0188 0.7275 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9115 2.1889 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3274 -0.6604 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4038 0.3151 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 1.1743 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3276 1.2128 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7293 1.4819 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2162 2.1641 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 0.9306 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 -0.1586 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 -1.7776 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -2.2901 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.0644 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 1.1883 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7742 1.8042 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 1.5321 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -1.3094 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1598 -1.8771 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 0.3434 2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 0.8540 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5238 -0.1607 2.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9317 0.6760 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1645 -1.0566 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 -1.3160 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 0.5066 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9664 1.2990 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -0.0057 -3.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 7 6 1 0 6 5 1 0 5 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 5 4 1 0 4 2 2 3 2 1 1 0 2 3 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 29 1 0 27 28 2 0 22 30 1 0 30 31 1 0 30 32 1 0 19 33 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 6 33 34 1 6 34 35 2 0 50 41 1 0 38 9 1 0 38 12 1 0 33 14 1 0 30 18 1 0 8 63 1 0 8 64 1 0 8 65 1 0 7 62 1 6 6 60 1 0 6 61 1 0 5 59 1 6 41101 1 6 43102 1 1 44103 1 0 44104 1 0 45105 1 0 46106 1 1 47107 1 0 48108 1 6 49109 1 0 50110 1 1 51111 1 0 4 58 1 0 1 52 1 0 1 53 1 0 1 54 1 0 3 55 1 0 3 56 1 0 3 57 1 0 9 66 1 1 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 13 71 1 0 13 72 1 0 13 73 1 0 14 74 1 6 15 75 1 1 16 76 1 0 17 77 1 0 19 78 1 1 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 1 26 84 1 0 26 85 1 0 29 86 1 0 31 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 32 92 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 34 93 1 0 M END 3D SDF for NP0140747 (Momordicine V)Mrv1652306292223492D 51 55 0 0 1 0 999 V2000 4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -0.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5628 -0.3415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8737 0.4227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3674 1.0740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5501 0.9612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2392 0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0438 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 -0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 2.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 3.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 10 9 1 6 0 0 0 10 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 0 0 0 0 10 15 1 0 0 0 0 14 16 1 6 0 0 0 16 17 1 0 0 0 0 13 18 1 1 0 0 0 12 19 1 6 0 0 0 11 20 1 1 0 0 0 21 2 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 32 1 6 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 6 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 30 47 1 6 0 0 0 28 48 1 6 0 0 0 48 49 2 0 0 0 0 25 50 1 6 0 0 0 24 51 1 1 0 0 0 M END > <DATABASE_ID> NP0140747 > <DATABASE_NAME> NP-MRD > <SMILES> C[C@H](CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](OC(=O)CC(O)=O)C4(C)C)[C@@]3(CC[C@]12C)C=O > <INCHI_IDENTIFIER> InChI=1S/C39H60O12/c1-20(2)14-22(49-35-33(48)32(47)31(46)27(18-40)50-35)15-21(3)23-10-11-38(7)34-26(42)16-25-24(39(34,19-41)13-12-37(23,38)6)8-9-28(36(25,4)5)51-30(45)17-29(43)44/h14,16,19,21-24,26-28,31-35,40,42,46-48H,8-13,15,17-18H2,1-7H3,(H,43,44)/t21-,22?,23-,24-,26+,27-,28+,31-,32+,33-,34+,35-,37-,38+,39-/m1/s1 > <INCHI_KEY> LWNCCLUCDGANTA-BGGZWTQLSA-N > <FORMULA> C39H60O12 > <MOLECULAR_WEIGHT> 720.897 > <EXACT_MASS> 720.408477372 $$$$ PDB for NP0140747 (Momordicine V)HEADER PROTEIN 29-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-JUN-22 0 HETATM 1 C UNK 0 9.302 -2.907 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 9.882 -1.480 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 11.407 -1.269 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 12.353 -2.485 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 11.772 -3.912 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 12.717 -5.127 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 12.137 -6.554 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 14.243 -4.917 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 13.878 -2.275 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 14.458 -0.848 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 15.984 -0.637 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 16.564 0.789 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 15.619 2.005 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 14.094 1.794 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 13.513 0.368 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 13.148 3.010 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 13.729 4.436 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 16.199 3.431 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 18.090 1.000 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 16.929 -1.853 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 8.937 -0.264 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 9.365 1.215 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 8.090 2.079 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 6.874 1.134 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 7.398 -0.314 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.405 -1.492 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 4.889 -1.221 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 4.366 0.228 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 5.358 1.405 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.835 2.854 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 3.319 3.125 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 2.326 1.947 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 2.850 0.499 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 1.857 -0.678 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 0.341 -0.407 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.182 1.041 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 0.810 2.218 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.332 3.252 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 1.028 3.743 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -1.698 1.312 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -2.221 2.761 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.229 3.938 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.737 3.032 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.261 4.480 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -5.777 4.751 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -3.268 5.657 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 5.828 4.031 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 3.373 -0.949 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 3.896 -2.398 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 8.069 -1.700 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 6.505 2.629 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 21 CONECT 3 2 4 CONECT 4 3 5 9 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 CONECT 9 4 10 CONECT 10 9 11 15 CONECT 11 10 12 20 CONECT 12 11 13 19 CONECT 13 12 14 18 CONECT 14 13 15 16 CONECT 15 14 10 CONECT 16 14 17 CONECT 17 16 CONECT 18 13 CONECT 19 12 CONECT 20 11 CONECT 21 2 22 25 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 29 51 CONECT 25 24 21 26 50 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 33 48 CONECT 29 28 24 30 CONECT 30 29 31 47 CONECT 31 30 32 CONECT 32 31 33 37 CONECT 33 32 28 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 40 CONECT 37 36 32 38 39 CONECT 38 37 CONECT 39 37 CONECT 40 36 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 CONECT 47 30 CONECT 48 28 49 CONECT 49 48 CONECT 50 25 CONECT 51 24 MASTER 0 0 0 0 0 0 0 0 51 0 110 0 END SMILES for NP0140747 (Momordicine V)C[C@H](CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](OC(=O)CC(O)=O)C4(C)C)[C@@]3(CC[C@]12C)C=O INCHI for NP0140747 (Momordicine V)InChI=1S/C39H60O12/c1-20(2)14-22(49-35-33(48)32(47)31(46)27(18-40)50-35)15-21(3)23-10-11-38(7)34-26(42)16-25-24(39(34,19-41)13-12-37(23,38)6)8-9-28(36(25,4)5)51-30(45)17-29(43)44/h14,16,19,21-24,26-28,31-35,40,42,46-48H,8-13,15,17-18H2,1-7H3,(H,43,44)/t21-,22?,23-,24-,26+,27-,28+,31-,32+,33-,34+,35-,37-,38+,39-/m1/s1 3D Structure for NP0140747 (Momordicine V) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C39H60O12 | |||||||||||||||
Average Mass | 720.8970 Da | |||||||||||||||
Monoisotopic Mass | 720.40848 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | C[C@H](CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](OC(=O)CC(O)=O)C4(C)C)[C@@]3(CC[C@]12C)C=O | |||||||||||||||
InChI Identifier | InChI=1S/C39H60O12/c1-20(2)14-22(49-35-33(48)32(47)31(46)27(18-40)50-35)15-21(3)23-10-11-38(7)34-26(42)16-25-24(39(34,19-41)13-12-37(23,38)6)8-9-28(36(25,4)5)51-30(45)17-29(43)44/h14,16,19,21-24,26-28,31-35,40,42,46-48H,8-13,15,17-18H2,1-7H3,(H,43,44)/t21-,22?,23-,24-,26+,27-,28+,31-,32+,33-,34+,35-,37-,38+,39-/m1/s1 | |||||||||||||||
InChI Key | LWNCCLUCDGANTA-BGGZWTQLSA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Predicted Spectra | ||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Classification | Not classified | |||||||||||||||
Physical Properties | ||||||||||||||||
State | Not Available | |||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||
HMDB ID | Not Available | |||||||||||||||
DrugBank ID | Not Available | |||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||
FoodDB ID | Not Available | |||||||||||||||
KNApSAcK ID | C00056803 | |||||||||||||||
Chemspider ID | 82827012 | |||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||
BioCyc ID | Not Available | |||||||||||||||
BiGG ID | Not Available | |||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||
METLIN ID | Not Available | |||||||||||||||
PubChem Compound | 145874194 | |||||||||||||||
PDB ID | Not Available | |||||||||||||||
ChEBI ID | Not Available | |||||||||||||||
Good Scents ID | Not Available | |||||||||||||||
References | ||||||||||||||||
General References |
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