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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Desoxygambogenin
|
600.80
|
9.2
|
2
|
6
|
93.06
|
9
|
|
|
Hanburin
|
600.80
|
9
|
2
|
6
|
93.06
|
9
|
|
|
Forbesione
|
464.50
|
5.4
|
2
|
6
|
93.06
|
4
|
|
|
Dihydroisomorellin
|
546.60
|
5.4
|
1
|
7
|
99.13
|
5
|
|
|
Dihydrosterculic acid
|
296.50
|
7.2
|
1
|
2
|
37.3
|
15
|
|
|
2-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)propoxy)phenyl)acetic acid hydrochloride
|
618.50
|
|
2
|
7
|
49.77
|
13
|
|
|
zerumin B
|
334.40
|
4.3
|
2
|
4
|
66.76
|
3
|
|
|
Cedrelanol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(6S,11S)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-8-en-11-ol
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
(2S,6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-2-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
0
|
|
|
Karavilagenin B
|
472.70
|
6.8
|
2
|
3
|
49.69
|
5
|
|
|
Karavilagenin A
|
486.80
|
7.3
|
1
|
3
|
38.69
|
6
|
|
|
(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
634.80
|
3.1
|
6
|
9
|
156.91
|
8
|
|
|
Kadsuralignan C
|
358.40
|
4.5
|
2
|
5
|
68.15
|
4
|
|
|
CID 16079976
|
512.60
|
2.8
|
2
|
8
|
127.2
|
5
|
|
|
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
|
266.29
|
0.4
|
2
|
5
|
75.99
|
4
|
|
|
Goniothalesacetate
|
338.40
|
0.5
|
1
|
7
|
91.29
|
8
|
|
|
(1As,3as,4r,5s,7as,7br)-4-[2-(3-furyl)ethyl]-4,5,7a,7b-tetramethyldecahydronaphtho [1,2-b]oxirene
|
302.50
|
5.2
|
0
|
2
|
25.67
|
3
|
|
|
[(1R,4R,6R,10S)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methanol
|
236.35
|
2.5
|
1
|
2
|
32.76
|
1
|
|
|
[(1R,4S,6S,10S)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methanol
|
236.35
|
2.5
|
1
|
2
|
32.76
|
1
|
|
|
4-[(E)-2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
|
394.50
|
7
|
3
|
4
|
69.92
|
7
|
|
|
4-[(2S,2aR,7aS)-6-hydroxy-4-methoxy-1,1-dimethyl-3-(3-methylbut-2-enyl)-2,2a,7,7a-tetrahydrocyclobuta[a]inden-2-yl]benzene-1,2-diol
|
394.50
|
5.8
|
3
|
4
|
69.92
|
4
|
|
|
4-[(12S,14S,15R)-9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl]benzene-1,2-diol
|
392.50
|
5.2
|
2
|
4
|
58.92
|
2
|
|
|
Artochamin F
|
380.50
|
6.6
|
4
|
4
|
80.92
|
6
|
|
|
4-[(2S,2aR,7aS)-4,6-dimethoxy-1,1-dimethyl-3-(3-methylbut-2-enyl)-2,2a,7,7a-tetrahydrocyclobuta[a]inden-2-yl]benzene-1,2-diol
|
408.50
|
6.1
|
2
|
4
|
58.92
|
5
|
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