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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(E)-5-[(1aR,3aS,4R,5S,7aR,7bS)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl]-3-methylpent-2-enoic acid
|
320.50
|
5.1
|
1
|
3
|
49.83
|
4
|
|
|
(E)-5-[(1aS,3aR,4S,5R,7aS,7bR)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl]-3-methylpent-2-enoic acid
|
320.50
|
5.1
|
1
|
3
|
49.83
|
4
|
|
|
(E)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
|
320.50
|
4.9
|
2
|
3
|
57.53
|
5
|
|
|
(E)-5-[(1R,2S,4aR,8aS)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
|
320.50
|
4.9
|
2
|
3
|
57.53
|
5
|
|
|
Oxalicumone C
|
350.30
|
1.4
|
2
|
8
|
123.27
|
7
|
|
|
(3aS,5R,5aS,6R,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
|
266.33
|
1.7
|
2
|
4
|
66.76
|
0
|
|
|
(2R)-2-[(4aR,8S,8aR)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]propanoic acid
|
250.33
|
3.4
|
1
|
3
|
54.37
|
2
|
|
|
(4aS,8aR)-4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
|
192.25
|
0.7
|
0
|
2
|
34.14
|
0
|
|
|
(2E,4E)-3-methylhexa-2,4-dienal
|
110.15
|
1.8
|
0
|
1
|
17.07
|
2
|
|
|
(3R)-2,3-dimethyl-4-(4-methylphenyl)cyclopentane-1-carbaldehyde
|
216.32
|
3.5
|
0
|
1
|
17.07
|
2
|
|
|
[(1R,5R,8R,10S,14S,16R,17S,18S)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-6-oxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-18-yl] acetate
|
415.50
|
2.3
|
1
|
5
|
76.07
|
4
|
|
|
[(1S,2R,4S,5S,7R,8R,12S,13S,18R,20S,21R)-4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
|
417.50
|
2.6
|
1
|
6
|
68.23
|
2
|
|
|
(3R,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(3S,8S,9R,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(3S,8S,9S,10R,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30R)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-enyl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,31-diol
|
705.10
|
16.3
|
2
|
2
|
40.46
|
20
|
|
|
1-Deoxy-l-erythritol
|
106.12
|
-1.3
|
3
|
3
|
60.69
|
2
|
|
|
5-Tricosenylresorcinol
|
430.70
|
12.9
|
2
|
2
|
40.46
|
21
|
|
|
5-Pentacosenylresorcinol
|
458.80
|
14
|
2
|
2
|
40.46
|
23
|
|
|
2-Mercapto-4-heptanol
|
148.27
|
1.9
|
2
|
2
|
59.03
|
4
|
|
|
(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
|
154.25
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-OL
|
154.25
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
3-Methyl-5,7-dimethoxyphthalide
|
208.21
|
1.7
|
0
|
4
|
44.76
|
2
|
|
|
Isovaleronitrile
|
83.13
|
1.1
|
0
|
1
|
23.79
|
1
|
|
|
3-Methyl-2-benzyl-4-quinazolone
|
250.29
|
2.5
|
0
|
2
|
34.89
|
2
|
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