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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
1-(2,4-Dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
|
232.27
|
3.6
|
2
|
3
|
57.53
|
3
|
|
|
5-Methyltryptamine
|
174.24
|
1.9
|
2
|
1
|
41.81
|
2
|
|
|
Blumeatin B
|
332.30
|
2.1
|
3
|
7
|
105.45
|
3
|
|
|
methyl (2S)-2-acetyloxy-2-[(1R,3R,4R,5R,10S,12R,14R,15R,16S,18S,19R,20S,22R)-3,15,22-triacetyloxy-5-(furan-3-yl)-16-hydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate
|
758.70
|
0.4
|
1
|
17
|
218.86
|
12
|
|
|
(+)-Kallolide B
|
312.40
|
5.3
|
0
|
3
|
39.44
|
2
|
|
|
2-Phenylpropanenitrile
|
131.17
|
2.1
|
0
|
1
|
23.79
|
1
|
|
|
(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
|
456.70
|
8.4
|
2
|
3
|
57.53
|
2
|
|
|
(+)-8-Drimen-7-one
|
220.35
|
4
|
0
|
1
|
17.07
|
0
|
|
|
[(1S,2R,5S,6S,7R,8R,9R,12R)-5,12-diacetyloxy-8-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
464.50
|
2.3
|
1
|
9
|
121.5
|
7
|
|
|
(6R,7aS,11aS)-8,8,11a-trimethyl-4-propan-2-yl-6-[(4-propan-2-ylphenyl)methyl]-6,7,7a,9,10,11-hexahydrobenzo[i][2]benzoxepine-1,3-dione
|
448.60
|
8.3
|
0
|
3
|
47.28
|
4
|
|
|
2,5-Cyclohexadiene-1,4-dione, 2-(4-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-2-furanyl)-
|
314.30
|
2.5
|
0
|
5
|
73.58
|
6
|
|
|
Echinone
|
344.40
|
3.3
|
1
|
6
|
89.9
|
6
|
|
|
Tinnevellin glucoside
|
408.40
|
1.2
|
5
|
9
|
145.91
|
5
|
|
|
2',3,5,6',7-Pentahydroxyflavanone
|
304.25
|
1.5
|
5
|
7
|
127.45
|
1
|
|
|
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
|
274.31
|
3.9
|
2
|
4
|
66.76
|
3
|
|
|
Aknadilactam
|
373.40
|
0.8
|
1
|
6
|
85.3
|
3
|
|
|
4-Methoxy-3,5-dimethyl-6-[(1E,3E)-3-methyl-4-(4-nitrophenyl)buta-1,3-dienyl]pyran-2-one
|
341.40
|
4.1
|
0
|
5
|
82.58
|
4
|
|
|
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
|
250.25
|
2.9
|
0
|
5
|
53.99
|
2
|
|
|
(3aS,6aR,9aR,9bS)-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[8,7-b]furan-9-carbaldehyde
|
244.28
|
1.6
|
0
|
3
|
43.37
|
1
|
|
|
(2S,3R,4R,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3,8,8a-tetrol
|
476.70
|
4.2
|
5
|
5
|
101.15
|
1
|
|
|
(2S,4aS,4bR,8aS,10aS)-7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid
|
320.40
|
3.6
|
2
|
4
|
74.6
|
1
|
|
|
(2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid
|
318.40
|
4.1
|
2
|
4
|
74.6
|
1
|
|
|
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
|
212.20
|
-0.8
|
3
|
5
|
86.99
|
4
|
|
|
2,6,10-Trimethyldodecanoic acid
|
242.40
|
6
|
1
|
2
|
37.3
|
10
|
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