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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-3,11-dioxo-2-oxatricyclo[6.3.1.04,12]dodecan-10-yl] acetate
|
404.50
|
2.5
|
1
|
7
|
103.04
|
5
|
|
|
methyl (1R,4aS,5R,7R,8S,9R,10aR)-8-acetyloxy-7-ethenyl-5,9-dihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
|
406.50
|
2.2
|
2
|
6
|
93.06
|
5
|
|
|
Malfodicfsixpo-kouxddqnsa-
|
409.60
|
4.3
|
3
|
3
|
52.49
|
2
|
|
|
Periplogenin
|
390.50
|
1.1
|
3
|
5
|
86.99
|
1
|
|
|
4-Epicycloeucalenone
|
424.70
|
9.6
|
0
|
1
|
17.07
|
5
|
|
|
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
|
428.70
|
10.6
|
1
|
2
|
29.46
|
12
|
|
|
7-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
|
436.50
|
5.2
|
3
|
6
|
100.13
|
7
|
|
|
3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl hydrogen sulfate
|
440.50
|
1.7
|
3
|
9
|
140.13
|
9
|
|
|
(25R)-2beta,3beta-Dihydroxy-5beta-spirostan-12-one
|
446.60
|
3.9
|
2
|
5
|
75.99
|
0
|
|
|
CID 10575381
|
446.60
|
3.5
|
2
|
5
|
75.99
|
0
|
|
|
Artonol E
|
448.50
|
5.1
|
3
|
7
|
109.36
|
2
|
|
|
(1S,3S,3aR,8bS)-6,8,8b-trimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-ol
|
448.50
|
3.7
|
1
|
6
|
66.38
|
6
|
|
|
Floribundal
|
452.50
|
0.6
|
1
|
10
|
134.66
|
9
|
|
|
Cbkcrwffmtxfby-hgsakkhusa-
|
456.70
|
6.8
|
2
|
3
|
57.53
|
5
|
|
|
Passifloricin B
|
458.70
|
6.6
|
4
|
6
|
107.22
|
20
|
|
|
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4R,5R)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
460.70
|
7.3
|
3
|
4
|
69.92
|
6
|
|
|
3-[(1R,1'S,3aR,4S,5S)-1',4-dimethyl-3'-methylidene-1'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,2'-cyclopentane]-4-yl]propanoic acid
|
464.60
|
6.8
|
1
|
4
|
63.6
|
6
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
|
466.40
|
-2
|
5
|
11
|
180.05
|
9
|
|
|
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(1-hydroxy-2-methylpropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
472.70
|
7.5
|
1
|
3
|
46.53
|
3
|
|
|
(4R,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one
|
474.50
|
4.5
|
2
|
7
|
94.45
|
5
|
|
|
3-hydroxy-2-(7-hydroxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
476.40
|
0.3
|
6
|
12
|
188.51
|
4
|
|
|
(1S,2S,4R,6S,11R,12S,14R,15R,21S)-14-hydroxy-17-(hydroxymethyl)-3',4',11,21-tetramethylspiro[5-oxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosa-8,17-diene-15,5'-furan]-2',10,16-trione
|
480.50
|
1.6
|
2
|
7
|
113.43
|
1
|
|
|
[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
|
482.70
|
8.6
|
0
|
3
|
43.37
|
6
|
|
|
[(2E,4R)-3,7-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,6-dien-4-yl] 3,4,5-trihydroxybenzoate
|
484.50
|
1.4
|
7
|
11
|
186.37
|
10
|
|
|
(3S,4S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyoctanoic acid
|
488.50
|
0.7
|
7
|
12
|
203.44
|
12
|
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