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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R)-3-hydroxy-12'-apo-beta-carotenal
|
366.50
|
6.2
|
1
|
2
|
37.3
|
7
|
|
|
Chloroisosulochrin
|
366.70
|
3.6
|
3
|
7
|
113.29
|
5
|
|
|
(S)-1,3-benzodioxol-5-yl-[(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
|
372.40
|
2.9
|
1
|
6
|
66.38
|
6
|
|
|
CID 11101100
|
386.40
|
-1.6
|
5
|
8
|
136.68
|
4
|
|
|
Burseran
|
386.40
|
4
|
0
|
6
|
55.38
|
7
|
|
|
4-Methylcyclohex-3-enecarbaldehyde
|
124.18
|
1.1
|
0
|
1
|
17.07
|
1
|
|
|
(1S,2S,4R,6R,7R)-6-bromo-4-[(1S)-1-bromopropyl]-2-[(Z)-pent-2-en-4-ynyl]-3,8-dioxabicyclo[5.1.1]nonane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
4
|
|
|
(1S,2S,4R,6S,7S)-7-bromo-4-[(1S)-1-bromopropyl]-2-[(E)-pent-2-en-4-ynyl]-3,9-dioxabicyclo[4.2.1]nonane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
4
|
|
|
(3E,8S,11E,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
|
392.40
|
-0.2
|
0
|
8
|
120.88
|
4
|
|
|
[(2R,2'S,3S,4S,4aS,5'R,7R,8S,8aR)-5'-(furan-3-yl)-2',7,8-trihydroxy-3,8,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2-yl] acetate
|
408.50
|
1.6
|
3
|
7
|
109.36
|
3
|
|
|
(2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-3-(3,4,5-trimethoxyphenyl)propan-1-ol
|
418.50
|
4.2
|
1
|
7
|
75.61
|
12
|
|
|
Iso-dulcinol
|
424.60
|
5.2
|
1
|
4
|
63.6
|
3
|
|
|
(all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial
|
428.60
|
9.1
|
0
|
2
|
34.14
|
12
|
|
|
Schisandrol A
|
432.50
|
4
|
1
|
7
|
75.61
|
6
|
|
|
[(E)-2-[(4R,5S,7S,8S)-8-(hydroxymethyl)-7,8-dimethoxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-6,7-dihydro-4H-cyclohepta[b]furan-4-yl]ethenyl] 3-methylbut-2-enoate
|
460.60
|
5.2
|
1
|
6
|
78.13
|
10
|
|
|
[(1S,4aS,4bR,6S,6aS,7S,8S,9S,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,8,9,10,10a,11,12,12a-tetradecahydrochrysen-6-yl] acetate
|
474.70
|
6.3
|
1
|
5
|
80.67
|
5
|
|
|
Artogomezianol
|
488.50
|
5
|
8
|
8
|
161.84
|
6
|
|
|
[(1S,6S,7R,7aS)-6-acetyloxy-4-[(2-acetyloxy-3-methylbutanoyl)oxymethyl]spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylpentanoate
|
494.50
|
2.3
|
0
|
10
|
126.96
|
14
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
510.50
|
0.2
|
6
|
12
|
176.76
|
7
|
|
|
(1R,2S,5S,8S,9R,14R,15R,17R,18R,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone
|
546.60
|
-1
|
3
|
11
|
165.89
|
0
|
|
|
Diepomuricanin
|
546.90
|
12.8
|
0
|
4
|
51.36
|
27
|
|
|
[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
|
552.50
|
1.8
|
7
|
11
|
218.1
|
6
|
|
|
CID 11103620
|
552.50
|
-0.4
|
7
|
13
|
196.99
|
7
|
|
|
alpha-Terpinyl acetate
|
196.29
|
2.4
|
0
|
2
|
26.3
|
3
|
|
|
(2S)-4-[(15R)-15-Hydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
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