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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol
|
482.50
|
5.9
|
4
|
6
|
99.38
|
3
|
|
|
(3R,4S)-3-methoxy-4-methylsulfanylpiperidine-2-thione
|
191.30
|
0.9
|
1
|
3
|
78.65
|
2
|
|
|
5-methyl-3-[(1R)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
|
234.33
|
4.8
|
2
|
2
|
40.46
|
1
|
|
|
6-Hydroxy-3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepine-7-carboxylic acid
|
324.40
|
4.4
|
2
|
4
|
66.76
|
4
|
|
|
15Epsillon-hydroxypinusolidic acid
|
348.40
|
3.6
|
2
|
5
|
83.83
|
4
|
|
|
methyl (1S,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
334.50
|
4.6
|
1
|
3
|
46.53
|
6
|
|
|
Momordicin I
|
472.70
|
5.3
|
3
|
4
|
77.76
|
5
|
|
|
3-hydroxy-17-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
634.80
|
3.1
|
6
|
9
|
156.91
|
8
|
|
|
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
|
374.40
|
1.2
|
1
|
7
|
99.13
|
4
|
|
|
[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
|
374.40
|
1.2
|
1
|
7
|
99.13
|
4
|
|
|
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylpropanoate
|
362.40
|
1
|
1
|
7
|
99.13
|
4
|
|
|
(1S,2S,5S,6S,12R)-5,14-dimethyl-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadeca-9(15),13-diene-4,10-dione
|
260.28
|
1.2
|
0
|
4
|
52.6
|
0
|
|
|
methyl (3R,4aS,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
|
346.50
|
4.7
|
1
|
4
|
59.67
|
5
|
|
|
6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
648.80
|
4.9
|
6
|
10
|
173.98
|
5
|
|
|
4,9-dihydroxy-3,3-dimethyl-7-propan-2-yl-2H-phenalen-1-one
|
284.30
|
4.8
|
2
|
3
|
57.53
|
1
|
|
|
Stigmasterone
|
410.70
|
8.2
|
0
|
1
|
17.07
|
5
|
|
|
(4S)-16-hydroxy-14-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
|
292.40
|
5.3
|
1
|
4
|
55.76
|
1
|
|
|
5-Methylmellein
|
192.21
|
2.8
|
1
|
3
|
46.53
|
0
|
|
|
5-Hydroxymethylmellein
|
208.21
|
1.6
|
2
|
4
|
66.76
|
1
|
|
|
(1R,2R,4S,5R,6R,12R,13R)-4,5,12,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecan-9-one
|
300.35
|
-0.8
|
4
|
6
|
107.22
|
0
|
|
|
(1R,2R,4S,5R,6S,13R)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
|
298.33
|
-0.8
|
3
|
6
|
104.06
|
0
|
|
|
(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
|
260.40
|
4.2
|
2
|
2
|
40.46
|
1
|
|
|
6-[(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-5-hydroxy-8-methoxy-2,7-dimethylbenzo[g]chromen-4-one
|
580.50
|
-0.2
|
7
|
14
|
217.97
|
7
|
|
|
5-hydroxy-8-methoxy-2,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
|
448.40
|
1.5
|
5
|
10
|
159.05
|
4
|
|
|
2,3,5,5-Tetramethyl-4-methylene-2-cyclopenten-1-one
|
138.21
|
1.8
|
0
|
1
|
17.07
|
0
|
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