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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3'-Acetyloxy-7-hydroxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl)methyl acetate
|
448.50
|
2.1
|
1
|
8
|
116.2
|
5
|
|
|
Rabdosin B
|
448.50
|
2.1
|
1
|
8
|
116.2
|
5
|
|
|
(3',7-Diacetyloxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl)methyl acetate
|
490.50
|
2.7
|
0
|
9
|
122.27
|
7
|
|
|
Maoecrystal B
|
388.50
|
1.2
|
2
|
6
|
93.06
|
2
|
|
|
Maoecrystal C
|
346.40
|
0.6
|
3
|
5
|
86.99
|
0
|
|
|
(7,9,10,15-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl) acetate
|
408.50
|
0
|
4
|
7
|
116.45
|
2
|
|
|
beta-Barbatene
|
204.35
|
5
|
0
|
0
|
0
|
0
|
|
|
(-)-beta-Barbatene
|
204.35
|
5
|
0
|
0
|
0
|
0
|
|
|
(1S,2S,6S,7R,11R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-ol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(1S,2S,6S,7R,11S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-ol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
Mzikonone
|
454.60
|
4.2
|
1
|
5
|
76.74
|
3
|
|
|
[(1S,4aS,7S,7aS)-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
488.50
|
0.1
|
4
|
11
|
161.21
|
11
|
|
|
[(1S,4aS,6S,7S,7aS)-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
504.50
|
-0.6
|
5
|
12
|
181.44
|
11
|
|
|
(3aR,7R,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
|
248.32
|
1.9
|
0
|
3
|
43.37
|
3
|
|
|
11Beta,13-Dihydroinuviscolide
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
11Alpha,13-Dihydroinuviscolide
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(1S,3aR,5aS,8R,8aR,9aR)-8-hydroxy-1,8-dimethyl-5-methylidene-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(1R,2R,3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
|
238.37
|
2.9
|
1
|
2
|
32.76
|
1
|
|
|
(2S,4aR,8R,8aR)-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol
|
306.50
|
4.3
|
2
|
2
|
40.46
|
4
|
|
|
(2R,4aR,8R,8aR)-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol
|
306.50
|
4.3
|
2
|
2
|
40.46
|
4
|
|
|
CID 14109705
|
330.50
|
5.2
|
0
|
3
|
39.44
|
5
|
|
|
(1R,4S,5S,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
316.40
|
4.4
|
1
|
3
|
54.37
|
1
|
|
|
(1R,4aR,5S,6R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-one
|
332.40
|
3.1
|
1
|
4
|
67.51
|
3
|
|
|
(5aR,11bS,11cS)-9,10-dimethoxy-1-methyl-1-oxido-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-1-ium-7-one
|
331.40
|
1.4
|
0
|
5
|
67.82
|
2
|
|
|
methyl (2R)-2-[(2R,3Z,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
|
354.40
|
1.8
|
2
|
4
|
65.56
|
4
|
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