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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Teucrenone
|
234.33
|
2.2
|
1
|
2
|
37.3
|
1
|
|
|
4-Hydroxy-9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one
|
236.18
|
1.3
|
1
|
6
|
78.13
|
1
|
|
|
3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
478.40
|
0.5
|
7
|
12
|
199.51
|
5
|
|
|
(3S,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,8-diol
|
238.37
|
3.5
|
2
|
2
|
40.46
|
7
|
|
|
Marcanine A
|
239.23
|
1
|
1
|
3
|
67
|
0
|
|
|
Andrachcinidine
|
227.34
|
1.4
|
2
|
3
|
49.33
|
6
|
|
|
3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate
|
554.90
|
13.3
|
0
|
2
|
26.3
|
15
|
|
|
(2R,3S,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-3-[(2R,3R,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1373.70
|
4.1
|
13
|
23
|
378.81
|
15
|
|
|
(2R,3S,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-3-[(2R,3R,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-8a-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxycarbonyl-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1373.70
|
4.6
|
13
|
23
|
378.81
|
15
|
|
|
rel-(I+/-R,I(2)S,2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-I(2),7-dimethoxy-I+/-,3-dimethyl-5-benzofuranethanol
|
374.40
|
2.8
|
2
|
6
|
77.38
|
6
|
|
|
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] acetate
|
288.29
|
2.5
|
0
|
5
|
65.74
|
2
|
|
|
Norbraylin
|
244.24
|
2.5
|
1
|
4
|
59.67
|
0
|
|
|
(3R)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
|
244.28
|
2.5
|
1
|
3
|
46.53
|
1
|
|
|
3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one
|
576.90
|
13.9
|
2
|
4
|
66.76
|
30
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
538.50
|
-3.5
|
9
|
15
|
245.29
|
7
|
|
|
1,4-Cineole
|
154.25
|
2.5
|
0
|
1
|
9.23
|
1
|
|
|
Goniofupyrone
|
250.25
|
-0.1
|
2
|
5
|
75.99
|
1
|
|
|
2-Methoxycanthin-6-one
|
250.25
|
2.7
|
0
|
3
|
43.6
|
1
|
|
|
(2S,4R,9aS)-2-methyl-4-[[(2S)-piperidin-2-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
|
250.42
|
3.4
|
1
|
2
|
15.27
|
2
|
|
|
4-(hydroxymethyl)-1H-indeno[1,2-b]pyridine-2,5-dione
|
227.21
|
-0.3
|
2
|
3
|
70.16
|
1
|
|
|
[(1S,2S,3aR,5R,6Z,9S,10R,11R,12S,13Z)-3a,9,10,11,12-pentaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-2,3,5,9,10,11-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
698.80
|
4.5
|
0
|
13
|
174.87
|
13
|
|
|
[(1R,2Z,4S,5S,7S,8S,9R,10Z,13S,14S,15S)-7,8,14-triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-[(E)-2-methylbut-2-enoyl]oxy-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate
|
696.80
|
4.9
|
1
|
12
|
160.96
|
12
|
|
|
CID 101062384
|
336.50
|
2.6
|
2
|
4
|
58.92
|
1
|
|
|
9-[[(2S,4R)-4'-(2,3-dihydroxy-3-methylbutoxy)-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
590.60
|
4.2
|
2
|
11
|
143.1
|
7
|
|
|
9-[[(2S,4R)-4'-[(3,3-dimethyloxiran-2-yl)methoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
572.60
|
5.2
|
0
|
10
|
115.17
|
6
|
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