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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
318.40
|
3
|
1
|
3
|
54.37
|
4
|
|
|
(4aS,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
320.50
|
2.8
|
1
|
3
|
54.37
|
5
|
|
|
[(1S,4aS,6S,8aS)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-2-oxo-1,4a,5,6,7,8-hexahydronaphthalen-1-yl] acetate
|
360.50
|
4.3
|
0
|
4
|
60.44
|
6
|
|
|
(1S,4aS,6S,8aS)-1-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
318.40
|
3.7
|
1
|
3
|
54.37
|
4
|
|
|
(4aR,6S,8aR)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
236.31
|
0.4
|
1
|
3
|
54.37
|
1
|
|
|
(4aR,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
320.50
|
2.8
|
1
|
3
|
54.37
|
5
|
|
|
(4aR,6S,8aR)-4a-hydroperoxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
334.40
|
3
|
1
|
4
|
63.6
|
5
|
|
|
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
302.50
|
4.4
|
0
|
2
|
34.14
|
4
|
|
|
(4aR,6S,8aR)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
304.50
|
4.3
|
0
|
2
|
34.14
|
5
|
|
|
(4aS,6S,8aR)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
236.31
|
0.4
|
1
|
3
|
54.37
|
1
|
|
|
6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
|
438.40
|
0.5
|
6
|
11
|
183.21
|
7
|
|
|
2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
|
436.40
|
0.8
|
6
|
11
|
183.21
|
7
|
|
|
Campestanyl oleate
|
667.10
|
17.7
|
0
|
2
|
26.3
|
22
|
|
|
1,3-Dihydroxy-2-(methoxymethoxy)anthracene-9,10-dione
|
300.26
|
2.6
|
2
|
6
|
93.06
|
3
|
|
|
6-[(E)-4-hydroxy-4-methylpent-2-enoyl]-4,6-dimethyl-5-(3-methylbut-2-enyl)cyclohexa-1,3-diene-1-carbaldehyde
|
316.40
|
2.9
|
1
|
3
|
54.37
|
6
|
|
|
Phosphoadenosine phosphosulfate
|
507.27
|
-5
|
6
|
17
|
303.97
|
8
|
|
|
[(2S)-2,3-dihydroxypropyl] (10E,12E)-9-oxooctadeca-10,12-dienoate
|
368.50
|
4.3
|
2
|
5
|
83.83
|
18
|
|
|
Kimcuongin
|
356.40
|
4.4
|
0
|
6
|
82.81
|
6
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6a,7,8,8a,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
|
454.70
|
7.4
|
2
|
3
|
57.53
|
1
|
|
|
(4aR,6aR,6aR,6bR,8aR,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
|
472.70
|
7
|
3
|
4
|
77.76
|
2
|
|
|
butyl 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetate
|
386.40
|
0.4
|
5
|
9
|
145.91
|
9
|
|
|
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
782.70
|
0.5
|
5
|
20
|
278.8
|
16
|
|
|
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
|
182.30
|
0.3
|
0
|
4
|
86.88
|
4
|
|
|
4,5-dihydroxy-2-methyl-1-[(10S)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
|
640.60
|
2.9
|
8
|
12
|
222.28
|
2
|
|
|
4,5-dihydroxy-2-methyl-1-[(10S)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
|
640.60
|
2.9
|
8
|
12
|
222.28
|
2
|
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