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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-(8-Hydroxy-2,2-dimethylchromen-7-yl)ethanone
|
218.25
|
2.7
|
1
|
3
|
46.53
|
1
|
|
|
Boviquinone 4
|
412.60
|
7.2
|
2
|
4
|
74.6
|
11
|
|
|
5,7-Dihydroxy-8-(7-methoxy-2-oxochromen-8-yl)oxychromen-2-one
|
368.30
|
2.7
|
2
|
8
|
119.34
|
3
|
|
|
Navenone C
|
240.30
|
3.6
|
1
|
2
|
37.3
|
5
|
|
|
(1S,3S,4aS,6aR,6bS,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-1,3-diol
|
442.70
|
8.2
|
2
|
2
|
40.46
|
0
|
|
|
(1R,3S,4aS,6aS,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-diol
|
442.70
|
8.4
|
2
|
2
|
40.46
|
0
|
|
|
1,3,6-Trihydroxy-2-methoxyxanthen-9-one
|
274.22
|
2.4
|
3
|
6
|
100.13
|
1
|
|
|
Kanzonol W
|
336.30
|
3.8
|
2
|
5
|
79.9
|
1
|
|
|
cyclo[Gly-Leu-Val-Ile-Tyr-Pro]
|
642.80
|
3.2
|
6
|
7
|
186.04
|
7
|
|
|
methyl (4S,4aS,6aR,11aS,11bR)-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
|
344.40
|
3.9
|
1
|
4
|
59.67
|
2
|
|
|
methyl (1S,4aR,4bS,8aR,10aS)-10a-hydroxy-7-(2-hydroxyethyl)-1,4a,8-trimethyl-6-oxo-2,3,4,4b,5,8a,9,10-octahydrophenanthrene-1-carboxylate
|
364.50
|
2.2
|
2
|
5
|
83.83
|
4
|
|
|
[(1R,2E,5R,6R,10S)-5,6-dihydroxy-3-methyl-7-methylidene-10-propan-2-ylcyclodec-2-en-1-yl] acetate
|
296.40
|
2
|
2
|
4
|
66.76
|
3
|
|
|
[(1R,2E,5R,6E,10S)-5-hydroxy-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-yl] acetate
|
280.40
|
2.9
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,2E,8S,10R,11S)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
|
354.40
|
-1.5
|
3
|
8
|
122.52
|
3
|
|
|
[(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate
|
410.50
|
2.7
|
0
|
7
|
96.36
|
6
|
|
|
(2S,4S,4aS,5R,6S,8aR,9aR)-2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-ol
|
326.40
|
1
|
1
|
5
|
57.15
|
3
|
|
|
(1R,2R,4S,5R,6R,7R,8R,10R,11R)-5,6,8-trihydroxy-5,11-dimethyl-13-oxapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-12-one
|
350.40
|
1.3
|
3
|
5
|
86.99
|
0
|
|
|
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-3-acetyloxy-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
450.50
|
1.1
|
3
|
8
|
130.36
|
4
|
|
|
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-2,3-diacetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
492.60
|
1.6
|
2
|
9
|
136.43
|
6
|
|
|
[(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-3-acetyloxy-2,8,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
452.50
|
0.6
|
4
|
8
|
133.52
|
4
|
|
|
(+)-15-Beyeren-3-one
|
286.50
|
5.7
|
0
|
1
|
17.07
|
0
|
|
|
5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
|
418.40
|
3.4
|
1
|
9
|
105.82
|
7
|
|
|
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
|
418.40
|
2.9
|
1
|
9
|
105.82
|
7
|
|
|
[(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
|
542.80
|
7.6
|
1
|
5
|
72.83
|
5
|
|
|
Garbogiol
|
328.30
|
3.8
|
3
|
6
|
100.13
|
0
|
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