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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-Oxostigmasterol
|
426.70
|
7.5
|
1
|
2
|
37.3
|
5
|
|
|
Pubadysone
|
326.40
|
2.7
|
1
|
3
|
46.53
|
0
|
|
|
Pubamide
|
341.40
|
2.1
|
2
|
3
|
66.4
|
0
|
|
|
1,2-Dithiin
|
116.20
|
1.5
|
0
|
2
|
50.6
|
0
|
|
|
Fupenzic acid
|
484.70
|
5.7
|
3
|
5
|
94.83
|
1
|
|
|
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
|
220.29
|
2.7
|
0
|
3
|
46.7
|
1
|
|
|
2-Methylglutaric acid
|
146.14
|
0.1
|
2
|
4
|
74.6
|
4
|
|
|
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] acetate
|
494.70
|
7.3
|
0
|
4
|
52.6
|
2
|
|
|
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] benzoate
|
556.80
|
8.9
|
0
|
4
|
52.6
|
3
|
|
|
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] 2-hydroxybenzoate
|
572.80
|
9.1
|
1
|
5
|
72.83
|
3
|
|
|
Epicubenol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
Fern-7-ene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
Frameroside
|
602.60
|
-0.7
|
6
|
15
|
235.81
|
13
|
|
|
Quercetin-3-o-beta-d-arabinofuranoside
|
434.30
|
1
|
7
|
11
|
190.28
|
4
|
|
|
[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
|
336.50
|
4.3
|
0
|
4
|
60.44
|
14
|
|
|
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
|
320.50
|
4.9
|
0
|
3
|
43.37
|
8
|
|
|
(4aS,10aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
600.90
|
11.9
|
1
|
4
|
55.76
|
5
|
|
|
(4aR)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-10-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
|
614.90
|
11.5
|
2
|
5
|
75.99
|
5
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
432.40
|
1.2
|
6
|
10
|
170.05
|
3
|
|
|
7alpha,15-Dihydroxydehydroabietic acid
|
332.40
|
2.9
|
3
|
4
|
77.76
|
2
|
|
|
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
|
264.32
|
0.9
|
1
|
4
|
63.6
|
0
|
|
|
(3S,3aR,4S,6aR,8S,9aR,9bR)-4,8-dihydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
264.32
|
0.5
|
2
|
4
|
66.76
|
0
|
|
|
Rhodomyrtone
|
442.50
|
5.8
|
2
|
6
|
100.9
|
5
|
|
|
(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-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-8-carboxylic acid
|
498.70
|
9.1
|
1
|
4
|
63.6
|
4
|
|
|
(4S)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
|
248.32
|
3.2
|
0
|
3
|
43.37
|
5
|
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