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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2E,4E,14E)-1-piperidin-1-yloctadeca-2,4,14-trien-1-one
|
345.60
|
7.5
|
0
|
1
|
20.31
|
13
|
|
|
(2E,8E,10E)-16-hydroxyhexadeca-2,8,10-trien-4,6-diynal
|
242.31
|
3.1
|
1
|
2
|
37.3
|
8
|
|
|
(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-yn-1-ol
|
230.34
|
4.5
|
1
|
1
|
20.23
|
7
|
|
|
[(3aR,4R,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
360.40
|
1.6
|
1
|
6
|
89.9
|
5
|
|
|
[(3aS,4S,5S,6E,10Z,11aR)-5-acetyloxy-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
418.40
|
1.1
|
1
|
8
|
116.2
|
7
|
|
|
[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
376.40
|
1.1
|
2
|
7
|
110.13
|
5
|
|
|
(2R)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methyl-1,2-dihydropyrrol-5-one
|
437.40
|
-3.7
|
8
|
12
|
207.63
|
6
|
|
|
(2R)-4-methyl-2-[[(2S)-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]oxy]-1,2-dihydropyrrol-5-one
|
208.21
|
-0.1
|
2
|
3
|
67.43
|
2
|
|
|
[(3aS,5R,5aR,7S,8aR,9aR)-8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] acetate
|
320.30
|
0.2
|
1
|
6
|
85.36
|
2
|
|
|
[(3aS,5R,5aR,7S,8aR,9aR)-5-(chloromethyl)-5,8a-dihydroxy-1,8-dimethylidene-2-oxo-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-7-yl] propanoate
|
370.80
|
0.9
|
2
|
6
|
93.06
|
4
|
|
|
(3aS,5R,5aR,7S,8aR,9aR)-5-(chloromethyl)-5,7,8a-trihydroxy-1,8-dimethylidene-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
|
314.76
|
-0.1
|
3
|
5
|
86.99
|
1
|
|
|
(3S,3aS,5S,6aR,8S,9aR,9bS)-5,8-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
|
0.3
|
2
|
4
|
66.76
|
0
|
|
|
(1S,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
|
286.50
|
4.7
|
0
|
1
|
17.07
|
2
|
|
|
(1S,2S,6aR,6aR,6bR,8aR,9R,10R,12aR,14aR,14bS)-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-6,6a,7,8,8a,10,11,12,13,14,14a,14b-dodecahydro-1H-picene-1,10-diol
|
458.70
|
6
|
4
|
4
|
80.92
|
2
|
|
|
(3R,4S,4aR,6aR,6aR,6bR,11S,12S,12aS,14aR,14bR)-3,12-dihydroxy-11-(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-2,3,4a,5,6,6a,7,12,12a,13,14,14a-dodecahydro-1H-picene-4-carbaldehyde
|
456.70
|
5.8
|
3
|
4
|
77.76
|
2
|
|
|
dimethyl (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
|
692.90
|
4.3
|
5
|
11
|
172.21
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-1.1
|
14
|
23
|
374.13
|
12
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
572.80
|
7.1
|
4
|
6
|
99.38
|
8
|
|
|
(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide
|
374.50
|
3.2
|
2
|
4
|
66.76
|
1
|
|
|
(3E,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]oxolan-2-one
|
354.40
|
3.4
|
1
|
6
|
74.22
|
4
|
|
|
(3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]oxolan-2-one
|
354.40
|
3.4
|
1
|
6
|
74.22
|
4
|
|
|
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one
|
356.40
|
3.5
|
1
|
6
|
74.22
|
5
|
|
|
(1R)-6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7-ol
|
355.40
|
2.5
|
1
|
5
|
70.98
|
1
|
|
|
(1S,8'R)-6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
|
371.40
|
1.4
|
2
|
6
|
91.21
|
1
|
|
|
gamma-glutamyl-S-allylmercaptocysteine
|
322.40
|
-2.8
|
4
|
8
|
180.32
|
11
|
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