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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4S,6E)-4-hydroxy-3-methyl-6-(6-methylhept-5-en-2-ylidene)cyclohex-2-en-1-one
|
234.33
|
3
|
1
|
2
|
37.3
|
3
|
|
|
1,3-Dihydroxypentane-1,3,5-tricarboxylic acid
|
236.18
|
-1.8
|
5
|
8
|
152.36
|
7
|
|
|
(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
|
236.35
|
2.4
|
2
|
2
|
40.46
|
0
|
|
|
1-[(1S,3S,6S,7R)-1,7-dihydroxy-3,6-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-9-yl]ethanone
|
238.28
|
-0.2
|
2
|
4
|
66.76
|
1
|
|
|
1,2,5-Trihydroxyxanthone
|
244.20
|
2.4
|
3
|
5
|
90.9
|
0
|
|
|
(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
|
246.35
|
1.5
|
0
|
3
|
23.55
|
0
|
|
|
Hippadine
|
263.25
|
3.1
|
0
|
3
|
39.94
|
0
|
|
|
(3aR,4aR,5R,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.6
|
1
|
3
|
46.53
|
0
|
|
|
Cratoxyarborenone F
|
258.23
|
2.8
|
2
|
5
|
79.9
|
1
|
|
|
5,6,7-Trihydroxyisoflavone
|
270.24
|
2.7
|
3
|
5
|
90.9
|
1
|
|
|
Hydramacrophyllol B
|
272.25
|
2.1
|
3
|
5
|
86.99
|
2
|
|
|
methyl (2E,8E)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
|
272.29
|
2.9
|
0
|
4
|
52.6
|
7
|
|
|
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
640.50
|
-1.3
|
10
|
17
|
278.66
|
7
|
|
|
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-6-methylphenol
|
274.40
|
5.7
|
1
|
2
|
29.46
|
6
|
|
|
(3aS,5'S,6aS,7R,8R,10R,10aR)-5'-(furan-3-yl)-3a,10-dihydroxy-8-methylspiro[1,6,6a,8,9,10-hexahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
|
374.40
|
1
|
2
|
7
|
106.2
|
1
|
|
|
(3R)-3-[(E)-[(2S)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene]methyl]-2-methylidene-6-oxoheptanoic acid
|
278.30
|
0.3
|
2
|
5
|
91.67
|
6
|
|
|
Nortanshinone
|
280.27
|
2.2
|
0
|
4
|
64.35
|
0
|
|
|
[(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-yl] acetate
|
280.40
|
3.4
|
0
|
3
|
35.53
|
2
|
|
|
methyl 2-[(3aS,4R,5S,6S)-4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-8-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate
|
442.50
|
0.6
|
3
|
8
|
130.36
|
8
|
|
|
(1S,5R,7R,8R,12S)-7,12-dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
|
282.33
|
0
|
2
|
5
|
75.99
|
1
|
|
|
7-Hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde
|
282.30
|
3.7
|
1
|
3
|
46.53
|
2
|
|
|
9-Octadecenoic acid (9Z)-, dodecyl ester
|
450.80
|
13.2
|
0
|
2
|
26.3
|
27
|
|
|
5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone
|
404.40
|
3.1
|
2
|
9
|
116.82
|
6
|
|
|
7-Dehydrobrefeldin A
|
278.34
|
1.6
|
1
|
4
|
63.6
|
0
|
|
|
(E)-1-(2,3-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
|
286.28
|
3.1
|
3
|
5
|
86.99
|
4
|
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