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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(7-Acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate
|
434.50
|
2.1
|
2
|
7
|
102.29
|
4
|
|
|
Ponicidin
|
362.40
|
0.6
|
3
|
6
|
96.22
|
0
|
|
|
[(Z)-hex-3-enyl] (2R)-2-methylbutanoate
|
184.27
|
3.3
|
0
|
2
|
26.3
|
7
|
|
|
Mintsulfide
|
236.40
|
4.6
|
0
|
1
|
25.3
|
1
|
|
|
(2Z)-2-[(3R,4S,5S,6R,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
|
470.70
|
5.5
|
3
|
4
|
77.76
|
10
|
|
|
Pygmaeocin B
|
310.40
|
2.9
|
0
|
3
|
51.21
|
1
|
|
|
Pygmaeocin C
|
312.40
|
4.2
|
2
|
3
|
57.53
|
1
|
|
|
Epioxylubimin
|
252.35
|
2.4
|
2
|
3
|
57.53
|
2
|
|
|
11b,13-Dihydrolactucopicrin
|
412.40
|
1.2
|
2
|
7
|
110.13
|
5
|
|
|
11beta,13-Dihydrolactucopicrin
|
412.40
|
1.2
|
2
|
7
|
110.13
|
5
|
|
|
3-Hydroxy-beta-ionol
|
210.31
|
1.5
|
2
|
2
|
40.46
|
2
|
|
|
Sinensetin
|
372.40
|
3
|
0
|
7
|
76.36
|
6
|
|
|
6-hydroxy-2',5-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohex-2-ene]-1'-one
|
343.40
|
2.5
|
1
|
5
|
59
|
2
|
|
|
Methyl hippurate
|
193.20
|
0.8
|
1
|
3
|
55.4
|
4
|
|
|
3,7,7-Trimethylbicyclo[4.1.0]hept-1-ene
|
136.23
|
3
|
0
|
0
|
0
|
0
|
|
|
(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
426.70
|
9.1
|
1
|
1
|
20.23
|
0
|
|
|
(1S,4aS,5S,7S,7aR)-1,4a,5,6,7,7a-Hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside
|
364.34
|
-3.3
|
7
|
10
|
169.3
|
3
|
|
|
(2r,3r)-(-)-3,5-Dihydroxy-6,7-dimethoxyflavanone
|
316.30
|
2.5
|
2
|
6
|
85.22
|
3
|
|
|
Anhydrosafflor yellow B
|
1044.90
|
-5.1
|
19
|
26
|
480.34
|
14
|
|
|
1H-Indole-3-ethanamine, 7-chloro-
|
194.66
|
2
|
2
|
1
|
41.81
|
2
|
|
|
4-((2S,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl)-2-methoxyphenol
|
344.40
|
5.3
|
1
|
4
|
47.92
|
8
|
|
|
Rel-(5R,6R,7S,8S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-5,8-epoxybenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
|
414.40
|
3.9
|
0
|
7
|
64.61
|
4
|
|
|
GnetifolinC
|
528.50
|
4.6
|
6
|
8
|
139.84
|
3
|
|
|
Cassyformin
|
372.40
|
1.7
|
3
|
7
|
105.45
|
6
|
|
|
Kadsuralignan A
|
402.40
|
3.7
|
2
|
7
|
86.61
|
3
|
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