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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,3,6-Trihydroxy-8-methylanthraquinone
|
270.24
|
2.7
|
3
|
5
|
94.83
|
0
|
|
|
(1S,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
302.50
|
5.5
|
1
|
2
|
37.3
|
2
|
|
|
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
|
410.70
|
11.4
|
0
|
0
|
0
|
1
|
|
|
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
4
|
|
|
(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one
|
304.25
|
1.5
|
5
|
7
|
127.45
|
1
|
|
|
Dolabradiene
|
272.50
|
7.3
|
0
|
0
|
0
|
1
|
|
|
Luxuriadiene
|
272.50
|
7.3
|
0
|
0
|
0
|
1
|
|
|
Doryafranin
|
311.40
|
3.6
|
0
|
4
|
30.93
|
3
|
|
|
(3aS,5aS,6S,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
248.32
|
2
|
1
|
3
|
46.53
|
0
|
|
|
Luteolin 3'-glucoside
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
5,7-dihydroxy-2-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
Tabernaemontanine
|
354.40
|
3.3
|
1
|
4
|
62.4
|
3
|
|
|
20-Epitabernemontanine
|
354.40
|
3.3
|
1
|
4
|
62.4
|
3
|
|
|
CID 12309364
|
406.50
|
1.1
|
3
|
6
|
104.06
|
3
|
|
|
CID 12309368
|
364.50
|
0.5
|
4
|
5
|
97.99
|
1
|
|
|
Dryobalanone
|
458.70
|
7.2
|
2
|
3
|
57.53
|
5
|
|
|
Durmillone
|
378.40
|
3.9
|
0
|
6
|
67.13
|
2
|
|
|
Dustanin
|
444.70
|
8.5
|
2
|
2
|
40.46
|
1
|
|
|
Eleostearic acid
|
278.40
|
6.4
|
1
|
2
|
37.3
|
13
|
|
|
Trametenolic acid
|
456.70
|
7.5
|
2
|
3
|
57.53
|
5
|
|
|
(R,R)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexene
|
204.35
|
5.3
|
0
|
0
|
0
|
3
|
|
|
Wym3TH44BC
|
204.35
|
5.4
|
0
|
0
|
0
|
2
|
|
|
(2S,3R)-Astilbin; NSC 245342
|
434.40
|
0.7
|
6
|
10
|
166.14
|
3
|
|
|
(3S,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,4,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
5.7
|
4
|
5
|
97.99
|
1
|
|
|
(S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid
|
306.50
|
6.2
|
1
|
2
|
37.3
|
5
|
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