Murcko scaffold
Ring system with 2 rings and 17 atoms
72 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 17
- Chemicals
- 72
- With full pages
- 20
Scaffold SMILES
O=C(C=Cc1ccccc1)OC1CCCCC1
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 48 of 72 chemicals
5-p-Coumaroylquinic acid
CAS 1899-30-5C16H18O8
![Methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate chemical structure, C17H20O9, CAS 29708-87-0](/s/MZNIJRAPCCELQX-SMKXDYDZSA-N.svg)
Methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
CAS 29708-87-0C17H20O9
Cyclohexyl p-methoxycinnamate
CAS 73486-92-7C16H20O3
cis-Chlorogenic acid
CAS 15016-60-1C16H18O9
Chlorogenic acid
CAS 327-97-9C16H18O9
2-Propenoic acid, 3-phenyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS 94440-51-4C19H26O2
![1-{[3-(3,4-Dihydroxyphenyl)acryloyl]oxy}-3,5-dihydroxycyclohexane-1-carboxylic acid chemical structure, C16H18O8](/s/IQRPXVABWMLCMZ-UHFFFAOYSA-N.svg)
1-{[3-(3,4-Dihydroxyphenyl)acryloyl]oxy}-3,5-dihydroxycyclohexane-1-carboxylic acid
C16H18O8
Neochlorogenic acid
CAS 906-33-2C16H18O9
1-Caffeoyl-4-deoxyquinic acid
CAS 153444-59-8C16H18O8
Npc200561
CAS 53539-37-0C16H18O8
![Cryptochlorogenic acid [M+H]+ chemical structure, C16H18O9](/s/GYFFKZTYYAFCTR-DUXPYHPUSA-N.svg)
Cryptochlorogenic acid [M+H]+
C16H18O9
![(3R,5S)-4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid chemical structure, C16H18O9](/s/GYFFKZTYYAFCTR-BKRVHWFXSA-N.svg)
(3R,5S)-4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
C16H18O9
5Z-Caffeoylquinic acid
CAS 1049703-62-9C16H18O9
Cyclohexyl cinnamate
CAS 138964-30-4C15H18O2
Isochlorogenic acid
CAS 534-61-2C16H18O9
Hycandinic acid ester-1
CAS 214353-00-1C21H28O9
![Butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate chemical structure, C21H28O9, CAS 214353-01-2](/s/CFSGXVCRNZCANZ-IBYCLIHOSA-N.svg)
Butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
CAS 214353-01-2C21H28O9
trans-5-O-(4-Coumaroyl)-D-quinic acid
CAS 5746-55-4C16H18O8
3-O-Caffeoylquinic acid methyl ester
CAS 123483-19-2C17H20O9
Cryptochlorogenic acid
CAS 87099-73-8C16H18O9
3-O-Feruloylquinic acid
CAS 1899-29-2C17H20O9
3-p-Coumaroylquinic acid
CAS 87099-71-6C16H18O8
3-Feruloylquinic acid
CAS 87099-72-7C17H20O9
Npc233393
CAS 928005-87-2C16H18O9
- 1 suppliers4-O-Feruloylquinic acid2613-86-7C17H20O9
- 2 suppliersEthyl chlorogenate37123-66-3C18H22O9
- Methyl 4-O-coumaroylquinate864467-51-6C17H20O8
- 4'-O-Methyl-neochlorogenic acid1234369-77-7C17H20O9
- Chlorogenic acid butyl ester132741-56-1C20H26O9
- Neochlorogenic acid, (Z)-32719-11-2C16H18O9
- (1S,3R,4R,5R)-Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, methyl ester1295570-97-6C17H20O8
- Butyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate409361-64-4C20H26O9
- cis-5-O-Feruloylquinic acid87099-75-0C17H20O9
- Chlorogenic acid, monopotassium salt, compd with caffeine (1:1)102735-66-0C24H27KN4O11
- Methyl 3-O-feruloylquinate154418-15-2C18H22O9
- cis-3-O-Feruloylquinic acid89886-27-1C17H20O9
- 1-Caffeoylquinic acid, (Z)-1627537-95-4C16H18O9
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-methoxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid57496-29-4C17H20O9
- (1R,3R,4S,5R)-Methyl 3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylate123410-65-1C17H20O9
- 4-Caffeoylquinic acid, 4-O-Caffeoylquinic acid327161-03-5C16H18O9
- Cyclohexyl 2-cyano-3-phenylprop-2-enoate26725-95-1C16H17NO2
- 3-O-Caffeoyl-1-methylquinic acid374728-77-5C17H20O9
- Chlorogenic acid hemihydrate6001-76-9C32H38O19
- Chlorogenic acid-13C61323443-06-6C16H18O9
- 4-Pentylcyclohexyl 3-(4-cyanophenyl)prop-2-enoate90424-63-8C21H27NO2
- Cyclohexyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate61312-62-7C17H19NO5
- Methyl 4-caffeoylquinate123372-74-7C17H20O9
- Methyl 3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylateC17H20O9
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(COc1ccccc1)Nc1ccccc1476 chemicals
O=C(NN=Cc1ccccc1)c1ccccc1265 chemicals
O=C(C=Cc1ccccc1)Nc1ccccc1175 chemicals
O=C(CCc1ccccc1)Nc1ccccc1153 chemicals
O=C(NCCc1ccccc1)c1ccccc1147 chemicals
S=C(NCc1ccccc1)Nc1ccccc1127 chemicals
O=C(CCNc1ccccc1)c1ccccc1120 chemicals
O=C(NC(=S)Nc1ccccc1)c1ccccc196 chemicals
O=S(=O)(NCCc1ccccc1)c1ccccc183 chemicals
O=C(CNc1ccccc1)Nc1ccccc183 chemicals
O=C(CSc1ccccc1)Nc1ccccc177 chemicals
c1ccc(CCNCc2ccccc2)cc173 chemicals