NPASS Compound

Natural Product: NPC236657

Natural Product ID	NPC236657
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Soyasaponin I
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Synonyms	Soyasaponin I
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL511016
PubChem CID	122097
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0002049] Terpene glycosides [CHEMONTID:0001580] Triterpene glycosides [CHEMONTID:0002358] Triterpene saponins

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 144151 0 0 0 0 0 0 0 0999 V2000 9.5558 1.6542 1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 2.2637 0.2087 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0650 2.3431 -0.7632 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5157 2.0884 -2.1363 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9201 0.7083 -2.1056 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9655 0.5002 -0.9632 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8523 1.5480 -0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 0.0180 -1.4389 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 -1.2559 -1.0266 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4430 -2.2205 -2.2515 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4504 -3.6016 -1.6086 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3675 -3.6490 -0.5581 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8921 -3.9966 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -4.3606 1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -2.6089 -0.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 -1.3292 -0.5033 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8179 -0.7775 0.7246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 0.2313 0.6815 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3470 1.5781 1.1343 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7580 1.5393 2.5618 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0502 0.3660 3.2474 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0459 0.6510 4.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 0.7245 5.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 0.8426 5.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 0.2333 2.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -0.1602 1.4848 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4701 0.3492 0.9788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 -0.6314 0.6797 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6156 -0.5852 1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5459 0.5637 1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 0.6228 0.1419 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1008 2.0072 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 -0.4450 -0.6747 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2028 -0.6587 -1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 -1.0934 -1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -0.1018 -0.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6284 1.0987 -1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 0.1338 0.3268 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2905 0.9478 1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7561 1.0850 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4293 0.3808 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8901 0.6197 0.2384 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6773 -0.4697 0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0667 0.0789 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1693 0.7151 2.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1130 -1.0144 1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3806 1.1527 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8252 0.7613 -1.1988 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2822 0.7704 -1.1819 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9153 2.1760 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7655 -0.2668 -2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5969 -1.0641 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7666 -0.6331 -0.5428 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5545 -1.8224 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3106 1.6278 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 -0.5395 -0.6963 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2206 -1.9501 -1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 0.3696 -1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.6821 -1.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1223 1.4311 2.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2256 2.4350 1.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6968 -3.7879 -1.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5218 -2.0288 -3.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9688 -0.2045 -2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 2.0197 -3.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 3.5843 -0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3243 0.8820 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7589 1.1797 2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 2.4231 2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 3.3249 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 1.5462 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 2.8642 -2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 0.5788 -3.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -0.3448 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 -1.6867 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 -2.0163 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -4.3168 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -4.5638 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -4.8731 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 -3.1933 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -3.9172 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.7428 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 0.3662 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 1.9393 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 2.4731 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -0.5786 3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 1.5026 6.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 -1.2811 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.6041 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1036 -0.4272 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.5582 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 1.5010 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 0.5355 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 2.6165 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 2.1715 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 2.6108 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -1.3933 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 0.1684 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -1.5283 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 -2.1060 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 -1.1616 -2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8027 1.3678 -2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4133 0.7433 -2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0618 1.9592 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -0.8972 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2089 0.4683 2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 1.9649 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2572 1.8283 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1394 1.5622 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8009 -1.3256 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1853 -0.7690 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1484 1.8179 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3738 0.3505 3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1417 0.4297 3.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6864 -1.8039 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0576 -0.6067 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3217 -1.4570 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4805 1.1758 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0640 2.1579 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1209 -0.2842 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7926 2.8181 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3396 2.1472 -2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 2.7003 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6535 0.2367 -3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6336 -0.9646 -2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9575 -2.1202 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0189 -1.2380 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 -2.6296 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -2.2413 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2957 -1.4983 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1753 1.9976 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 -2.6480 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -2.2244 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 -1.8236 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 0.0253 -1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 0.4411 -2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 2.2708 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4391 0.8926 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 3.2160 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9467 -4.7366 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3076 -2.5708 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1231 -0.5556 -3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 2.2893 -3.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5152 3.4973 -0.1632 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 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 6 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 6 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 1 48 55 1 0 33 56 1 0 56 57 1 6 56 58 1 0 58 59 1 0 20 60 1 0 19 61 1 0 11 62 1 0 10 63 1 0 5 64 1 0 4 65 1 0 3 66 1 0 7 2 1 0 16 9 1 0 26 18 1 0 56 28 1 0 38 31 1 0 53 41 1 0 53 36 1 0 49 42 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 1 3 71 1 1 4 72 1 6 5 73 1 6 6 74 1 1 9 75 1 1 10 76 1 6 11 77 1 6 12 78 1 6 13 79 1 0 13 80 1 0 14 81 1 0 16 82 1 6 18 83 1 6 19 84 1 6 20 85 1 1 21 86 1 1 24 87 1 0 26 88 1 1 28 89 1 6 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 32 96 1 0 33 97 1 1 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 1 39106 1 0 39107 1 0 40108 1 0 42109 1 1 43110 1 0 43111 1 0 45112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 6 50121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 60138 1 0 61139 1 0 62140 1 0 63141 1 0 64142 1 0 65143 1 0 66144 1 0 M END

Standard InCHIKey	PTDAHAWQAGSZDD-IOVCITQVSA-N
Standard InCHI	InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@@H](CO)O[C@H]1O[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)C[C@H]([C@]4(C)CC[C@@]32C)O)[C@@]1(C)CO)O)O)O)O)O)O)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	942.52	Volume:	923.263 ? Van der Waals volume.
Dense:	1.021	LogP:	1.057 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	1.759 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-3.43 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	9.0	Rigid Bonds:	45.0
TPSA:	294.98 ? Topological Polar Surface Area.	H-Bond Acceptor:	18.0
H-Bond Donor:	11.0	Rings:	8.0
Heavy Atoms:	18.0

MedChem Properties

QED Drug-Likeness Score:	0.112	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	6.408	Fsp³:	0.938
MCE-18:	176.172 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	1
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.717	Fluc inhibitor:	0.0 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.008 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.0 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.264	Promiscuous compounds:	0.145

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-6.131	MDCK Permeability:	-5.166
Pgp-inhibitor:	0.0	Pgp-substrate:	0.435
PAMPA:	1.0 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.951
20% Bioavailability (F20%):	0.968	30% Bioavailability (F30%):	0.992
50% Bioavailability (F50%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.0	MRP1:	0.86
Plasma Protein Binding (PPB):	71.628%	Volume Distribution (VD):	-0.466
Fu:	17.887% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.968
OATP1B3 inhibitor:	0.902	BCRP inhibitor:	0.0
BSEP inhibitor:	0.0

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.0
CYP3A4-inhibitor:	0.0	CYP3A4-substrate:	0.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.004
HLM stability:	0.0 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

0.031

Half-life (T1/2):

3.332

ADMET: Toxicity

hERG Blockers:	0.003	hERG Blockers (10um):	0.011
Human Hepatotoxicity (H-HT):	0.519	Drug-induced Liver Injury (DILI):	0.929
AMES Toxicity:	0.66	Rat Oral Acute Toxicity:	0.019
Maximum Recommended Daily Dose:	0.009	Skin Sensitization:	1.0
Carcinogencity:	0.128	Eye Corrosion:	0.0
Eye Irritation:	0.001	Respiratory Toxicity:	0.007
Drug-induced Neurotoxicity:	0.001	Ototoxicity:	0.997
Hematotoxicity:	0.539	Drug-induced Nephrotoxicity:	0.993
Genotoxicity:	0.71	RPMI-8226 Immunitoxicity:	0.189
A549 Cytotoxicity:	0.701	Hek293 Cytotoxicity:	0.44
BCF:	0.848 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	3.328 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.764 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	3.768 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[ 17014425]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1002/bab.1236]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/BF00270213]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.indcrop.2010.09.006]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/jf00025a020]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	DOI[10.1021/np50075a009]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10654410]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[10843587]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11000030]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11054840]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[11374966]
NPO9446	Asterias rathbuni	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	PMID[11473430]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[12575075]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	stem	n.a.	PMID[12575075]
NPO40955	Wistaria brachybotrys	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1294698]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[12964155]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	twigs	n.a.	n.a.	PMID[1453182]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15165152]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	leaves	n.a.	n.a.	PMID[15165152]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[15568770]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[15577255]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[15763368]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15911254]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16038550]
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16286309]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16392664]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	roots	Hualien Hsien, Taiwan	2003-JUL	PMID[16933887]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16933887]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[17253088]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17583950]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[17951038]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18175961]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18348535]
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota	n.a.	Red Sea	n.a.	PMID[18598078]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18855446]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	root	n.a.	PMID[18975262]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19191560]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19407970]
NPO40955	Wistaria brachybotrys	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1955883]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20455578]
NPO10718	Trigonostemon xyphophylloides	Species	Euphorbiaceae	Eukaryota	Stems	n.a.	n.a.	PMID[20593838]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	isolated from the root soil of the mangrove plant Acrostichum aureum	n.a.	n.a.	PMID[21486068]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[21486068]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	a root soil fungus isolated from the mangrove plant Acrostichum aureum	n.a.	n.a.	PMID[21486068]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	bark	n.a.	PMID[21553897]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[21615146]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21625478]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21775156]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23286284]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23377931]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24108414]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24295087]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24333010]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24459770]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25068786]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25620156]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25844502]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27569393]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27575476]
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27797185]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29185738]
NPO40387	Trigonella stellata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29676912]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[30298740]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30351923]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30758201]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30848895]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34142352]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[3655791]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36670952]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	roots	n.a.	n.a.	PMID[9834151]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[9868163]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	Database[Article]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21495	Abelia chinensis	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20421	Aplophyllum alberti-regelii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20084	Atraphaxis spinosa	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19995	Baccharis neglecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17849	Centaurea maculosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5903	Conus mus	Species	Conidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO22961	Cordia leucocephala	Species	Cordiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18143	Dendronephthya griffini	Species	Nephtheidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21562	Diospyros assimilis	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19511	Dolabella californica	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21108	Eria anomala	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11523	Erysimum leptophyllum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19036	Esenbeckia leiocarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21631	Faramea salicifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16569	Gymnocalycium schickendantzii	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12313	Haplophyllum obtusifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28202	Helichrysum tenuifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO27367	Latrunculia magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21038	Lemaireocereus longispinus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20843	Monsonia senegalensis	Species	Geraniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19810	Myxococcus stipitatus	Species	Myxococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17560	Pancratium sickenbergeri	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16141	Piper regnellii	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14241	Planchonia grandis	Species	Asterolecaniidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18473	Plathymenia reticulata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18866	Pteridium esculentum	Species	Dennstaedtiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17258	Rhinella marina	Species	Bufonidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9968	Shigella dysenteriae	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20624	Simarouba glauca	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21243	Siphonaria capensis	Species	Siphonariidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13449	Syzygium polycephaloides	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28072	Theonella conica	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4051	Tricholoma columbetta	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19912	Vellozia nanuzae	Species	Velloziaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO22937	Vernonia fagifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3696	Phyllostachys bambusoides	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19849	Melilotus officinalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4461	Meretrix petechialis	Species	Veneridae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24375	Micrococcus luteus	Species	Micrococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11628	Mytilus coruscus	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11910	Peltogyne pubescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9446	Asterias rathbuni	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15338	Lampranthus aurantiacus	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11223	Pleurotus japonicus	Species	Pleurotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20277	Pentzia eenii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18125	Suillus variegatus	Species	Suillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6792	Hedysarum polybotrys	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4965	Suberites caminatus	Species	Suberitidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8398	Cymodocea nodosa	Species	Cymodoceaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19033	Sargassum lacerifolium	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18462	Calliactis parasitica	Species	Hormathiidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9640	Dinophysis fortii	Species	Dinophysiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10104	Laurencia chilensis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5081	Amorphinopsis foetida	Species	Halichondriidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6243	Fomes fastuosus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13715	Bertya dimerostigma	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[Title]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6792	Hedysarum polybotrys	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18473	Plathymenia reticulata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21631	Faramea salicifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20084	Atraphaxis spinosa	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16569	Gymnocalycium schickendantzii	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17849	Centaurea maculosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4051	Tricholoma columbetta	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13715	Bertya dimerostigma	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11910	Peltogyne pubescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12313	Haplophyllum obtusifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21562	Diospyros assimilis	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9968	Shigella dysenteriae	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21495	Abelia chinensis	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19511	Dolabella californica	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5903	Conus mus	Species	Conidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20421	Aplophyllum alberti-regelii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO5081	Amorphinopsis foetida	Species	Halichondriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23899	Rosulabryum capillare	Species	Bryaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21243	Siphonaria capensis	Species	Siphonariidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21108	Eria anomala	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16141	Piper regnellii	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17560	Pancratium sickenbergeri	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19810	Myxococcus stipitatus	Species	Myxococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20843	Monsonia senegalensis	Species	Geraniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19036	Esenbeckia leiocarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9640	Dinophysis fortii	Species	Dinophysiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21038	Lemaireocereus longispinus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28202	Helichrysum tenuifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18143	Dendronephthya griffini	Species	Nephtheidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19995	Baccharis neglecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11628	Mytilus coruscus	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11523	Erysimum leptophyllum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6243	Fomes fastuosus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28072	Theonella conica	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13449	Syzygium polycephaloides	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14241	Planchonia grandis	Species	Asterolecaniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15439	Iyengaria stellata	Species	Scytosiphonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18866	Pteridium esculentum	Species	Dennstaedtiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9009	Atuna racemosa	Species	Chrysobalanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11056	Xanthoria resendei	Species	Teloschistaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27367	Latrunculia magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22961	Cordia leucocephala	Species	Cordiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9446	Asterias rathbuni	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22937	Vernonia fagifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12864	Trogoderma granarium	Species	Dermestidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24375	Micrococcus luteus	Species	Micrococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO5479	Astragalus wiedemannianus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9495	Lupinus oreophilus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3535	Artemisia lerchiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3529	Vachellia schaffnerii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17258	Rhinella marina	Species	Bufonidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23977	Helichrysum moeserianum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15338	Lampranthus aurantiacus	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12169	Ranunculus peltatus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6572	Dunalia solanacea	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8006	Berlinia tomentosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20624	Simarouba glauca	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4461	Meretrix petechialis	Species	Veneridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12284	Hydrangea serrata	Species	Hydrangeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18125	Suillus variegatus	Species	Suillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4965	Suberites caminatus	Species	Suberitidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19912	Vellozia nanuzae	Species	Velloziaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7949	Pterodon emarginatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25001	Melampodium pilosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10718	Trigonostemon xyphophylloides	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3311	Diplacus longiflorus	Species	Phrymaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3658	Achillea pseudopectinata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11223	Pleurotus japonicus	Species	Pleurotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3016	Litsea amara	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18447	Papaver tatricum	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4910	Lepidosperma ustulatum	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20277	Pentzia eenii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2565	Aglaia australiensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23334	Ceroplastes albolineatus	Species	Coccidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19849	Melilotus officinalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6234	Hemsleya panacis-scandens	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4022	Calycocorsus stipitatus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO8398	Cymodocea nodosa	Species	Cymodoceaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12057	Carlina racemosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7627	Fumaria micrantha	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9226	Astragalus pycnanthus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10546	Allagopappus viscosissimus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25819.1	Gueldenstaedtia verna subsp. multiflora	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11534	Astragalus spinosus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19504	Solanum canense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20346	Acacia retinoides	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18462	Calliactis parasitica	Species	Hormathiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19033	Sargassum lacerifolium	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3696	Phyllostachys bambusoides	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10104	Laurencia chilensis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11234	Anaglyptus subfasciatus	Species	Cerambycidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12227	Xylopia acutiflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6792	Hedysarum polybotrys	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
Activity	6
FC	7
Inhibition	3

Activity Type	# Activity
Individual protein	8
Cell line	5
Single protein	2
Organism	1

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	24.0	pmol/min	PMID[21397503]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	16.6	pmol/min	PMID[21397503]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	11.7	pmol/min	PMID[21397503]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	9.2	pmol/min	PMID[21397503]
NPT6724	Individual protein	Beta-galactoside alpha-2,6-sialyltransferase 1	Homo sapiens	Inhibition	=	68.0	%	PMID[33371679]
NPT27842	Single protein	Sialyltransferase ST3Gal-I	Rattus norvegicus	Inhibition	=	59.0	%	PMID[33371679]
NPT27842	Single protein	Sialyltransferase ST3Gal-I	Rattus norvegicus	Inhibition	=	83.0	%	PMID[33371679]
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.22	n.a.	PMID[29676912]
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.36	n.a.	PMID[29676912]
NPT99	Individual protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.79	n.a.	PMID[29676912]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell line	RAW264.7	Mus musculus	FC	=	11.1	n.a.	PMID[21397503]
NPT113	Cell line	RAW264.7	Mus musculus	FC	=	8.8	n.a.	PMID[21397503]
NPT113	Cell line	RAW264.7	Mus musculus	FC	=	6.8	n.a.	PMID[21397503]
NPT113	Cell line	RAW264.7	Mus musculus	FC	=	5.6	n.a.	PMID[21397503]
NPT1135	Cell line	Hepatocyte	Rattus norvegicus	Activity	=	0.0	%	PMID[29353722]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	40.0	%	PMID[1294698]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC236657 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	23629
0.1-0.2	22228
0.2-0.3	2692
0.3-0.4	779
0.4-0.5	389
0.5-0.6	114
0.6-0.7	11
0.7-0.8	0
0.8-0.85	4
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9462	High Similarity	NPC118440
0.85	High Similarity	NPC218954
0.8485	Intermediate Similarity	NPC95437
0.84	Intermediate Similarity	NPC114692
0.8384	Intermediate Similarity	NPC131469
0.8058	Intermediate Similarity	NPC120116
0.7757	Intermediate Similarity	NPC313110
0.7222	Intermediate Similarity	NPC187618
0.7188	Intermediate Similarity	NPC224121
0.6635	Remote Similarity	NPC12288
0.6364	Remote Similarity	NPC251768
0.6306	Remote Similarity	NPC162574
0.6204	Remote Similarity	NPC482748
0.6195	Remote Similarity	NPC64715
0.6195	Remote Similarity	NPC302887
0.6147	Remote Similarity	NPC472949
0.6111	Remote Similarity	NPC25605
0.6	Remote Similarity	NPC484059
0.6	Remote Similarity	NPC484060
0.6	Remote Similarity	NPC473884
0.5948	Remote Similarity	NPC301449
0.5948	Remote Similarity	NPC601290
0.592	Remote Similarity	NPC258617
0.5897	Remote Similarity	NPC160452
0.5887	Remote Similarity	NPC484061
0.5887	Remote Similarity	NPC484062
0.5882	Remote Similarity	NPC471962
0.5814	Remote Similarity	NPC484063
0.5814	Remote Similarity	NPC484064
0.5806	Remote Similarity	NPC82380
0.5806	Remote Similarity	NPC244296
0.5688	Remote Similarity	NPC164194
0.5678	Remote Similarity	NPC477075
0.5614	Remote Similarity	NPC192791
0.5603	Remote Similarity	NPC139044
0.5565	Remote Similarity	NPC482736
0.5565	Remote Similarity	NPC482738
0.5538	Remote Similarity	NPC11577
0.5538	Remote Similarity	NPC141600
0.5536	Remote Similarity	NPC174679
0.5536	Remote Similarity	NPC279554
0.5536	Remote Similarity	NPC309780
0.5528	Remote Similarity	NPC151543
0.5526	Remote Similarity	NPC475171
0.5526	Remote Similarity	NPC482717
0.5517	Remote Similarity	NPC11551
0.5508	Remote Similarity	NPC486563
0.55	Remote Similarity	NPC470477
0.5476	Remote Similarity	NPC277212
0.5476	Remote Similarity	NPC30279
0.5462	Remote Similarity	NPC114484
0.5439	Remote Similarity	NPC157868
0.5431	Remote Similarity	NPC114304
0.5429	Remote Similarity	NPC204407
0.5424	Remote Similarity	NPC123796
0.5417	Remote Similarity	NPC23275
0.5417	Remote Similarity	NPC477076
0.5417	Remote Similarity	NPC477079
0.5398	Remote Similarity	NPC59804
0.5397	Remote Similarity	NPC471550
0.5391	Remote Similarity	NPC470518
0.5391	Remote Similarity	NPC21691
0.5385	Remote Similarity	NPC148603
0.5372	Remote Similarity	NPC477077
0.5372	Remote Similarity	NPC477078
0.5366	Remote Similarity	NPC472267
0.5366	Remote Similarity	NPC107536
0.5366	Remote Similarity	NPC115656
0.5366	Remote Similarity	NPC280029
0.5366	Remote Similarity	NPC9470
0.5345	Remote Similarity	NPC242840
0.5339	Remote Similarity	NPC482722
0.5339	Remote Similarity	NPC471963
0.5323	Remote Similarity	NPC252657
0.5323	Remote Similarity	NPC88311
0.5308	Remote Similarity	NPC225791
0.5304	Remote Similarity	NPC488561
0.5294	Remote Similarity	NPC475504
0.5285	Remote Similarity	NPC480936
0.528	Remote Similarity	NPC123522
0.5276	Remote Similarity	NPC269484
0.5276	Remote Similarity	NPC97918
0.5259	Remote Similarity	NPC469946
0.5254	Remote Similarity	NPC44716
0.5234	Remote Similarity	NPC47995
0.5234	Remote Similarity	NPC57362
0.5234	Remote Similarity	NPC46823
0.5231	Remote Similarity	NPC476774
0.5231	Remote Similarity	NPC476780
0.5214	Remote Similarity	NPC112352
0.521	Remote Similarity	NPC475591
0.521	Remote Similarity	NPC236870
0.521	Remote Similarity	NPC471383
0.5207	Remote Similarity	NPC276093
0.5203	Remote Similarity	NPC469947
0.5203	Remote Similarity	NPC480948
0.52	Remote Similarity	NPC610204
0.5175	Remote Similarity	NPC136877
0.5175	Remote Similarity	NPC603870
0.5169	Remote Similarity	NPC30289
0.5169	Remote Similarity	NPC605226
0.5167	Remote Similarity	NPC257468
0.5164	Remote Similarity	NPC486564
0.5164	Remote Similarity	NPC481079
0.5161	Remote Similarity	NPC480939
0.5156	Remote Similarity	NPC283417
0.5156	Remote Similarity	NPC470218
0.5156	Remote Similarity	NPC200049
0.5139	Remote Similarity	NPC124828
0.5133	Remote Similarity	NPC270667
0.5126	Remote Similarity	NPC159309
0.5126	Remote Similarity	NPC164389
0.5126	Remote Similarity	NPC173859
0.5126	Remote Similarity	NPC86222
0.512	Remote Similarity	NPC213952
0.5118	Remote Similarity	NPC284449
0.5116	Remote Similarity	NPC252289
0.5116	Remote Similarity	NPC305793
0.5115	Remote Similarity	NPC265841
0.5115	Remote Similarity	NPC473452
0.5103	Remote Similarity	NPC485564
0.5082	Remote Similarity	NPC482740
0.5081	Remote Similarity	NPC187290
0.5079	Remote Similarity	NPC76972
0.5079	Remote Similarity	NPC469782
0.5079	Remote Similarity	NPC204414
0.5077	Remote Similarity	NPC4749
0.5075	Remote Similarity	NPC302543
0.5043	Remote Similarity	NPC482751
0.5042	Remote Similarity	NPC117714
0.5041	Remote Similarity	NPC323359
0.5041	Remote Similarity	NPC606145
0.5038	Remote Similarity	NPC476779
0.5037	Remote Similarity	NPC476775

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC236657 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	6963
0.1-0.2	2125
0.2-0.3	56
0.3-0.4	5
0.4-0.5	1
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
		NPD

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data