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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dihydrocumambrin A
|
308.40
|
1.5
|
1
|
5
|
72.83
|
2
|
|
|
[(3S,3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
|
308.40
|
1.5
|
1
|
5
|
72.83
|
2
|
|
|
Dehydrofalcarinol
|
242.36
|
5
|
1
|
1
|
20.23
|
9
|
|
|
CID 13895601
|
306.40
|
1.9
|
0
|
5
|
65.13
|
2
|
|
|
Lipiferolide
|
306.40
|
1.9
|
0
|
5
|
65.13
|
2
|
|
|
Verlotorin
|
264.32
|
1.1
|
1
|
4
|
55.76
|
1
|
|
|
(3aS,7R,10E,11aS)-7-hydroperoxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
264.32
|
1.1
|
1
|
4
|
55.76
|
1
|
|
|
(1S,2S,4R,7R,9S,12S)-4,9-dimethyl-13-methylidene-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-14-one
|
264.32
|
1.7
|
0
|
4
|
51.36
|
0
|
|
|
2-[(2R,4aS,7S,8aS)-7,8a-dihydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
266.33
|
1.2
|
3
|
4
|
77.76
|
2
|
|
|
2-[(2R,4aS,7R,8aS)-7,8a-dihydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
266.33
|
1.2
|
3
|
4
|
77.76
|
2
|
|
|
Dihydrosantamarin
|
250.33
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
(3S,3aS,5aR,6S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
250.33
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
(3R,3As,5aR,6R,9aS,9bS)-6-hydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
|
250.33
|
2.2
|
1
|
3
|
46.53
|
0
|
|
|
(3aS,7S,10E,11aS)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
248.32
|
1
|
1
|
3
|
46.53
|
0
|
|
|
3-Octanone oxime
|
143.23
|
2.6
|
1
|
2
|
32.59
|
5
|
|
|
Rhynchospermin
|
398.40
|
4.7
|
3
|
7
|
109.36
|
5
|
|
|
2,4-Dimethyloxazole
|
97.12
|
1.1
|
0
|
2
|
26.03
|
0
|
|
|
methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
|
352.40
|
0.9
|
1
|
5
|
62.13
|
3
|
|
|
methyl 2-[(2R)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate
|
236.22
|
1.3
|
1
|
5
|
72.83
|
3
|
|
|
(3R)-5-[(4aS,6R,8aR)-6-bromo-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
|
369.40
|
5.3
|
1
|
1
|
20.23
|
4
|
|
|
(1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-one
|
248.36
|
1.9
|
0
|
2
|
23.55
|
3
|
|
|
(1R,3S,3aS,4R,4aR,7R,7aS,8aS)-3a,7a-dihydroxy-1,4,7-trimethyl-1-[2-(3-methylfuran-2-yl)ethyl]-3-(2-methylprop-1-enyl)-4,4a,5,6,7,8a-hexahydro-3H-cyclopenta[f][2]benzofuran-8-one
|
416.50
|
3.7
|
2
|
5
|
79.9
|
4
|
|
|
4-Hydroxy-2-methoxyphenalen-1-one
|
226.23
|
3
|
1
|
3
|
46.53
|
1
|
|
|
5-Vinylbenzo[d][1,3]dioxole
|
148.16
|
2.9
|
0
|
2
|
18.46
|
1
|
|
|
(57R,58S,510R,511R,519S)-14,15,16,24,25,26,52,53,516,517,517-Undecahydroxy-55,513,515,3,8-pentaoxo-55,57,58,510,511,513,515,516,517,517a-decahydro-4,7-dioxa-5(19,10)-1,16-epoxy-7,11-methanodibenzo[i,k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-58-yl 3,4,5-trihydroxybenzoate
|
952.60
|
-0.6
|
14
|
27
|
450.25
|
3
|
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