Murcko scaffold
Ring system with 7 rings and 45 atoms
47 chemicals on CompoundList share this ring system.
- Rings
- 7
- Scaffold atoms
- 45
- Chemicals
- 47
- With full pages
- 13
Scaffold SMILES
O=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCCO1)C2
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 47 of 47 chemicals
Avermectin B1a
CAS 65195-55-3C48H72O14
(8Z)-3'',5-di-O-Demethylavermectin A1a
CAS 99965-56-7C47H70O14
24-Hydroxymethylavermectin B1a
CAS 82573-42-0C48H72O15
27-Hydroxyavermectin
CAS 109084-58-4C48H72O15
Eprinomectin B1a
CAS 133305-88-1C50H75NO14
Avermectin A1a, 5-O-demethyl-26-hydroxy-
CAS 86629-72-3C48H72O15
Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-((2-methoxyethoxy)methoxy)-, (4''R)-
CAS 148865-00-3C54H83NO17
Avermectin A1a, 5-O-demethyl-26-hydroxy-4''-O-((2-methoxyethoxy)methyl)-
CAS 148865-08-1C52H80O17
Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-methoxy-, (4''R)-
CAS 156153-52-5C51H77NO15
Eprinomectin
CAS 123997-26-2C49H73NO14
Abamectin B1B
CAS 65195-56-4C47H70O14
Avermectin
CAS 73989-17-0C48H72O14
Avermectin A1a
CAS 65195-51-9C49H74O14
Abamectin
CAS 71751-41-2C95H142O28
Avermectin A1b
CAS 65195-52-0C48H72O14
![5-O-Demethyl-5-O-[(2-propen-1-yloxy)carbonyl]avermectin A1a (>80%) chemical structure, C52H76O16](/s/YHPGTNGWFHQNLB-JJQDBLGWSA-N.svg)
5-O-Demethyl-5-O-[(2-propen-1-yloxy)carbonyl]avermectin A1a (>80%)
C52H76O16
Emamectin B1A
CAS 121124-29-6C49H75NO13
Emmamectin isomer
CAS 137335-79-6C49H75NO13
Emamectin B1A benzoate
CAS 138511-97-4C56H81NO15
Emamectin benzoate
CAS 155569-91-8C56H81NO15
Emamectin B1B
CAS 121424-52-0C48H73NO13
Eprinomectin B1b
CAS 133305-89-2C49H73NO14
Avermectin A1
CAS 71751-39-8C49H74O14
Emamectin
CAS 119791-41-2C49H75NO13
- 3 suppliersEmamectin, benzoate (salt)137512-74-4C56H81NO15
- 4''-Epiacetylamino-4''-deoxyavermectin B1160902-72-7C50H75NO14
- Emamectin B1B benzoate138511-98-5C55H79NO15
- Benzoic acid, (1'R,2R,3S,4'S,6S,8'R,12'S,13'S,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-oneC56H81NO15
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,20'R,21'R,24'S)-2-[(2S)-Butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-oneC49H75NO13
- (4''r)-4''-Deoxy-4''-(methylamino)avermectin b1 benzoate138511-99-6C56H81NO15
- AVermectin A1a, 5-O-demethyl-4 inverted exclamation marka inverted exclamation marka-deoxy-4 inverted exclamation marka inverted exclamation marka-(methylamino)-121424-50-8C49H75NO13
- Emamectin, benzoate (salt)C56H81NO15
- 8,9-Z-Abamectin B1a113665-89-7C48H72O14
- Avermectin A1a, 4''-(acetylamino)-5-O-demethyl-4''-deoxy-172926-97-5C50H75NO14
- 5-O-Demethyl-4''-deoxy-4''-(formylamino)-avermectin A1a625448-04-6C49H73NO14
- Benzoic acid, (6S,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[4-methoxy-5-[4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-oneC56H81NO15
- epi-Avermectin B1a106434-14-4C48H72O14
- 4''-Amino-5-O-demethyl-25-de(1-methylpropyl)-4''-deoxy-25-(1-methylethyl)-avermectin A1a500781-15-7C47H71NO13
- 5-O-Demethyl-5-O-[(2-propen-1-yloxy)carbonyl]avermectin A1a (>80%)160094-11-1C52H76O16
- (4''R)-5-O-Demethyl-4''-deoxy-4''-(formylmethylamino)avermectin A1a169265-46-7C50H75NO14
- 3''-O-Desmethylavermectin B1aC47H70O14
- 8a hydroxy-avermectin B1a96722-46-2C48H72O15
- Emamectin metabolite(N-methylformyl amino type)C50H75NO14
- (4??R)-4??-Amino-5-O-demethyl-4??-deoxyavermectin A1alpha Benzoate160094-16-6C55H79NO15
- Benzoic acid, (10'Z,14'Z,16'Z)-2-butan-2-yl-21',24'-dihydroxy-12'-[4-methoxy-5-[4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-oneC56H81NO15
- AVermectin A1a, 5-O-demethyl-4 inverted exclamation marka inverted exclamation marka-deoxy-4 inverted exclamation marka inverted exclamation marka-(methylamino)-, benzoate (salt)C56H81NO15
- Emamectin-N-formylC50H75NO14
Related scaffolds
Same ring framework with different atoms or bond orders
