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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3Z,4S,5S)-4-hydroxy-5-methyl-3-tetradecylideneoxolan-2-one
|
310.50
|
6.7
|
1
|
3
|
46.53
|
12
|
|
|
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
|
326.30
|
2.9
|
0
|
6
|
67.13
|
3
|
|
|
Penicitrinone A
|
380.40
|
3.3
|
1
|
5
|
68.9
|
0
|
|
|
2-{[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid
|
418.30
|
1.8
|
6
|
10
|
181.82
|
9
|
|
|
2,2-Dimethylbutyric acid
|
116.16
|
1.5
|
1
|
2
|
37.3
|
2
|
|
|
1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
|
506.50
|
7.7
|
2
|
6
|
77.38
|
5
|
|
|
Dichapetalin L
|
586.80
|
6.8
|
2
|
5
|
75.99
|
4
|
|
|
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-(benzoyloxymethyl)-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
590.80
|
9.4
|
1
|
5
|
72.83
|
7
|
|
|
Dimethylmalonic acid
|
132.11
|
0.4
|
2
|
4
|
74.6
|
2
|
|
|
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
|
668.60
|
-1.2
|
7
|
17
|
245.66
|
11
|
|
|
Formosadimer C
|
727.10
|
13.5
|
0
|
5
|
53.99
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1231.30
|
-0.4
|
13
|
27
|
423.57
|
17
|
|
|
2-methylpropan(17O)al
|
73.11
|
0.8
|
0
|
1
|
17.07
|
1
|
|
|
methyl (E,5S,7R)-5,7-dihydroxyoct-2-enoate
|
188.22
|
0.3
|
2
|
4
|
66.76
|
6
|
|
|
Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
|
236.26
|
3
|
3
|
4
|
77.76
|
3
|
|
|
(3aS,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
246.30
|
1.3
|
1
|
3
|
46.53
|
0
|
|
|
4-Methoxycanthin-6-one
|
250.25
|
2.1
|
0
|
3
|
43.6
|
1
|
|
|
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-
|
270.32
|
4
|
1
|
3
|
38.69
|
5
|
|
|
Bauhiniastatin 1
|
284.26
|
2.5
|
1
|
5
|
76.74
|
1
|
|
|
Jkxngdlzomuebl-uhfffaoysa-
|
294.30
|
3.6
|
0
|
4
|
56.51
|
0
|
|
|
(2R,3R,4R,4aR)-3-bromo-1,4,4a,7-tetramethyl-2,3,4,5,8,9-hexahydrobenzo[7]annulen-2-ol
|
299.25
|
3
|
1
|
1
|
20.23
|
0
|
|
|
Dihydro Homocapsaicin II
|
321.50
|
5
|
2
|
3
|
58.56
|
11
|
|
|
Danshenol C
|
336.40
|
3
|
1
|
4
|
63.6
|
2
|
|
|
[3-[(Z)-pentadec-8-enyl]phenyl] acetate
|
344.50
|
8.6
|
0
|
2
|
26.3
|
15
|
|
|
(1'R,2'Z,3S,7'S,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione
|
378.50
|
5.3
|
0
|
4
|
52.6
|
4
|
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