Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP011401	(1S,12R,13S,20S)-13-hydroxy-20-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one	332.30	0.5	1	7	83.45	1
BIMP011402	(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	332.35	-2.6	5	8	128.84	5
BIMP011403	(2S)-2-hydroxy-2-[(2S,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]acetic acid	344.23	-1.2	6	11	191.05	5
BIMP011404	(2R,3R,4S,5S,6R)-2-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	344.36	-0.8	5	8	128.84	6
BIMP011405	[(2R,3R,4R,5S,6S)-4-acetyloxy-2,5-dihydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate	352.30	0.8	3	8	122.52	6
BIMP011406	methyl (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate	356.32	-1.4	3	9	139.59	2
BIMP011407	2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-3-(methoxymethyl)-1-benzofuran-7-ol	356.40	2.7	3	6	92.29	6
BIMP011408	[(4R,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl]methyl acetate	360.50	4.1	1	4	59.67	3
BIMP011409	Hymenin	262.30	1.3	1	4	63.6	0
BIMP011410	Lansiumarin B	370.40	3.8	1	6	82.04	7
BIMP011411	[(1R,2R,4R,5R,7R,9Z,11R)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate	376.40	1.7	1	7	102.43	3
BIMP011412	Phosphohydroxypyruvic acid	184.04	-2.1	3	7	130.94	4
BIMP011413	Pyridoxal	167.16	0	2	4	70.42	2
BIMP011414	Dulxanthone F	384.40	4	1	7	87.36	3
BIMP011415	Kaempferol 8-C-sulfate	366.30	1.8	5	9	173.88	2
BIMP011416	5,7-Dihydroxy-4-[1-(hydroxy)propyl]-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-2 h-1-benzopyran-2-one	388.50	4.4	3	6	107.97	7
BIMP011417	(1R,2S,4R,7S,11R,14R,16S)-16-(dimethylamino)-8-propan-2-ylidene-14-prop-1-en-2-yl-3,6,15-trioxatetracyclo[9.3.1.14,7.02,4]hexadecane-5,9,12-trione	389.40	1.4	0	7	85.44	2
BIMP011418	Paxilline	435.60	3.5	3	4	82.55	1
BIMP011419	Deoxydehydropodophyllotoxin	394.40	4	0	7	72.45	4
BIMP011420	[(3aR,4R,6E,10E,11aR)-10-(acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate	402.40	2.2	0	7	95.97	7
BIMP011421	[(3S,5R,8R,9R,10R,13R,14R,17S)-17-acetyl-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	402.60	6.7	0	3	43.37	3
BIMP011422	CID 10501396	404.40	1.9	3	8	106.84	7
BIMP011423	Beauvericin	783.90	8.4	0	9	139.83	9
BIMP011424	2,6-di-O-phosphono-beta-D-fructofuranose	340.12	-5	7	12	223.06	6
BIMP011425	5,7-Dihydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one	422.50	5	3	6	100.13	3

BIMP011401

(1S,12R,13S,20S)-13-hydroxy-20-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one

332.30

0.5

1

7

83.45

1

BIMP011402

(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

332.35

-2.6

5

8

128.84

5

BIMP011403

(2S)-2-hydroxy-2-[(2S,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]acetic acid

344.23

-1.2

6

11

191.05

5

BIMP011404

(2R,3R,4S,5S,6R)-2-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

344.36

-0.8

5

8

128.84

6

BIMP011405

[(2R,3R,4R,5S,6S)-4-acetyloxy-2,5-dihydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

352.30

0.8

3

8

122.52

6

BIMP011406

methyl (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate

356.32

-1.4

3

9

139.59

2

BIMP011407

2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-3-(methoxymethyl)-1-benzofuran-7-ol

356.40

2.7

3

6

92.29

6

BIMP011408

[(4R,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl]methyl acetate

360.50

4.1

1

4

59.67

3

BIMP011409

Hymenin

262.30

1.3

1

4

63.6

0

BIMP011410

Lansiumarin B

370.40

3.8

1

6

82.04

7

BIMP011411

[(1R,2R,4R,5R,7R,9Z,11R)-4-hydroxy-4,9-dimethyl-14-methylidene-8,13-dioxo-6,12-dioxatricyclo[9.3.0.05,7]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

376.40

1.7

1

7

102.43

3

BIMP011412

Phosphohydroxypyruvic acid

184.04

-2.1

3

7

130.94

4

BIMP011413

Pyridoxal

167.16

0

2

4

70.42

2

BIMP011414

Dulxanthone F

384.40

4

1

7

87.36

3

BIMP011415

Kaempferol 8-C-sulfate

366.30

1.8

5

9

173.88

2

BIMP011416

5,7-Dihydroxy-4-[1-(hydroxy)propyl]-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-2 h-1-benzopyran-2-one

388.50

4.4

3

6

107.97

7

BIMP011417

(1R,2S,4R,7S,11R,14R,16S)-16-(dimethylamino)-8-propan-2-ylidene-14-prop-1-en-2-yl-3,6,15-trioxatetracyclo[9.3.1.14,7.02,4]hexadecane-5,9,12-trione

389.40

1.4

0

7

85.44

2

BIMP011418

Paxilline

435.60

3.5

3

4

82.55

1

BIMP011419

Deoxydehydropodophyllotoxin

394.40

4

0

7

72.45

4

BIMP011420

[(3aR,4R,6E,10E,11aR)-10-(acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

402.40

2.2

0

7

95.97

7

BIMP011421

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-acetyl-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

402.60

6.7

0

3

43.37

3

BIMP011422

CID 10501396

404.40

1.9

3

8

106.84

7

BIMP011423

Beauvericin

783.90

8.4

0

9

139.83

9

BIMP011424

2,6-di-O-phosphono-beta-D-fructofuranose

340.12

-5

7

12

223.06

6

BIMP011425

5,7-Dihydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one

422.50

5

3

6

100.13

3