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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4S,5S)-5-[(1R,2R)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
|
278.30
|
0
|
1
|
5
|
80.67
|
4
|
|
|
Isosecotanapartholide
|
278.30
|
-0.5
|
1
|
5
|
80.67
|
4
|
|
|
2-Oxo-kolavenic acid
|
318.40
|
4.8
|
1
|
3
|
54.37
|
4
|
|
|
5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpentanoic acid
|
306.50
|
6.1
|
1
|
2
|
37.3
|
5
|
|
|
(3S,6aS,6aS,6bR,8aS,11R,12aR,14aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14a-heptamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
1
|
|
|
2-Methyl-3-Oxy-5-Methoxy-p-Chinon
|
168.15
|
0.4
|
1
|
4
|
63.6
|
1
|
|
|
(4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one
|
286.50
|
5.3
|
0
|
1
|
17.07
|
3
|
|
|
(2S,4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
|
288.50
|
5.7
|
1
|
1
|
20.23
|
3
|
|
|
(2R,4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
|
288.50
|
5.7
|
1
|
1
|
20.23
|
3
|
|
|
(Z)-p-Menth-2-en-1-ol
|
154.25
|
2.3
|
1
|
1
|
20.23
|
1
|
|
|
Cedranyl acetate
|
264.40
|
4.5
|
0
|
2
|
26.3
|
2
|
|
|
(1R,2R,5S,7R,8R)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.01,5]undecane-2-carboxylic acid
|
252.35
|
2.4
|
2
|
3
|
57.53
|
1
|
|
|
[(1S,2S,3S,4S,5R,6S,8S,9S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
|
542.70
|
1.7
|
3
|
9
|
123.71
|
7
|
|
|
(3s,4s,6r)-3,6-Dihydroxy-1-menthene
|
170.25
|
1
|
2
|
2
|
40.46
|
1
|
|
|
(1R,15R,18R,19R)-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-ol
|
301.34
|
1.1
|
1
|
5
|
51.16
|
1
|
|
|
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
|
390.50
|
4.1
|
0
|
5
|
69.67
|
8
|
|
|
Tussilagone
|
390.50
|
4.1
|
0
|
5
|
69.67
|
8
|
|
|
Tussilagonone
|
330.50
|
4.5
|
0
|
3
|
43.37
|
5
|
|
|
Tussilogonone
|
330.50
|
4.5
|
0
|
3
|
43.37
|
5
|
|
|
[(1S,1'S,3'R,5R,6S,7S,9S)-7-hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
|
406.50
|
1.6
|
2
|
7
|
110.13
|
3
|
|
|
(1R,2R,4S,9R,10S,13S,14R,16R)-2,16-dihydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione
|
334.40
|
1.8
|
2
|
4
|
74.6
|
0
|
|
|
CID 13919535
|
646.80
|
4.8
|
5
|
10
|
170.82
|
5
|
|
|
[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1899.00
|
-3.8
|
22
|
43
|
671.28
|
32
|
|
|
5,7,7,11-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene
|
204.35
|
5.2
|
0
|
0
|
0
|
0
|
|
|
Edelfosine
|
523.70
|
7.6
|
0
|
6
|
86.86
|
27
|
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