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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
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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