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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol
|
260.28
|
2.4
|
3
|
4
|
69.92
|
4
|
|
|
Trimethylamine
|
59.11
|
0.3
|
0
|
1
|
3.24
|
0
|
|
|
3'-Methoxyacetophenone
|
150.17
|
1.8
|
0
|
2
|
26.3
|
2
|
|
|
[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
274.27
|
1.8
|
1
|
5
|
72.83
|
5
|
|
|
(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene
|
284.50
|
7.4
|
0
|
0
|
0
|
13
|
|
|
(2Z,4E)-5-[(1R,1aR,4aS,7R,7aS,7bS)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-2-methylpenta-2,4-dienal
|
300.40
|
3.5
|
1
|
2
|
37.3
|
3
|
|
|
(4aS,4bR,7S,10aS)-7-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
304.50
|
4.6
|
1
|
2
|
37.3
|
1
|
|
|
3-Methoxybenzoic acid
|
152.15
|
2
|
1
|
3
|
46.53
|
2
|
|
|
1,4-Dimethoxy-2,3-methylene-dioxyanthraquinone
|
312.27
|
2.6
|
0
|
6
|
71.06
|
2
|
|
|
Ophioglonin
|
314.25
|
2.1
|
4
|
7
|
120.36
|
0
|
|
|
(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
|
314.40
|
4.5
|
2
|
3
|
49.69
|
1
|
|
|
Eriophorin B
|
328.30
|
3.3
|
2
|
6
|
89.13
|
3
|
|
|
(2S,3S,6R)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-9-one
|
329.30
|
0.5
|
1
|
5
|
68.23
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.39
|
-0.3
|
5
|
7
|
119.61
|
8
|
|
|
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
|
338.40
|
2
|
1
|
3
|
37.63
|
2
|
|
|
Vitex norditerpenoid 2
|
348.50
|
4.4
|
0
|
4
|
52.6
|
3
|
|
|
[(1S,3S,4aR,5R,7S,7aS)-7-hydroxy-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
|
352.40
|
1.7
|
2
|
7
|
94.45
|
5
|
|
|
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
|
356.40
|
3.2
|
2
|
5
|
68.15
|
4
|
|
|
Neoeriocitrin
|
596.50
|
-0.9
|
9
|
15
|
245.29
|
6
|
|
|
[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
|
366.40
|
1.8
|
1
|
6
|
93.2
|
4
|
|
|
Terpinolene
|
136.23
|
2.8
|
0
|
0
|
0
|
0
|
|
|
(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol
|
388.40
|
2.9
|
2
|
7
|
86.61
|
8
|
|
|
[(1S,4R,4aS,6R,7S,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1,6-dihydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
406.50
|
1.5
|
2
|
7
|
109.5
|
6
|
|
|
Cleomiscosin C
|
416.40
|
2.1
|
2
|
9
|
116.82
|
5
|
|
|
(3S,4S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
|
430.40
|
3.7
|
0
|
8
|
81.68
|
8
|
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