Murcko scaffold
Ring system with 3 rings and 22 atoms
33 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 22
- Chemicals
- 33
- With full pages
- 6
Scaffold SMILES
O=C(NCCc1ccccc1)c1ccc2c(c1)C(=O)OCC2
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 33 of 33 chemicals
N-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)phenylalanine
CAS 1448049-50-0C20H18ClNO6
Ochratoxin B
CAS 4825-86-9C20H19NO6
Ochratoxin C
CAS 4865-85-4C22H22ClNO6
4-Hydroxyochratoxin A
CAS 35299-87-7C20H18ClNO7
methylidene}phenylalanine chemical structure, C20H18ClNO7, CAS 85911-04-2](/s/GHTAWZGQTQGHOQ-ABAIWWIYSA-N.svg)
N-{[5-Chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}phenylalanine
CAS 85911-04-2C20H18ClNO7
Ochratoxin tc
CAS 53011-68-0C22H22ClNO7
L-Tyrosine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-
CAS 64398-36-3C20H18ClNO6
L-Phenylalanine, N-((3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (3R-trans)-
CAS 80621-16-5C20H19NO7
L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-methoxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, methyl ester, (R)-
CAS 4825-87-0C22H22ClNO6
Ochratoxin A methyl ester
CAS 16281-44-0C21H20ClNO6
(4S)-4-Hydroxyochratoxin A
CAS 82598-16-1C20H18ClNO7
Ochratoxin A
CAS 303-47-9C20H18ClNO6
Ochratoxin B-d5
C20H19NO6
Ochratoxin B ethyl ester
CAS 18420-71-8C22H23NO6
RefChem:313913
CAS 18496-58-7C22H22ClNO6
N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine
CAS 53011-67-9C20H18ClNO7
3-Epi-ochratoxin A
CAS 189152-21-4C20H18ClNO6
Ochratoxin-A
C20H18ClNO6
Ochratoxin A-d5
CAS 666236-28-8C20H18ClNO6
![[U-13C]-Ochratoxin A chemical structure, C20H18ClNO6, CAS 911392-42-2](/s/RWQKHEORZBHNRI-VQZPEEAASA-N.svg)
[U-13C]-Ochratoxin A
CAS 911392-42-2C20H18ClNO6
10-Hydroxyochratoxin A
CAS 86072-87-9C20H18ClNO7
Methylochratoxin B
CAS 18496-57-6C21H21NO6
3-Epi-ochratoxin B
CAS 1356353-91-7C20H19NO6
3-Epi-ochratoxin A-d5
CAS 1177316-02-7C20H18ClNO6
- Ochratoxin A potassium89930-56-3C20H17ClKNO6
- Ochratoxin A sodium89930-55-2C20H17ClNNaO6
- 4-Hydroxyochratoxin B, (4R)-97906-06-4C20H19NO7
- 3-Epi-ochratoxin C1356840-94-2C22H22ClNO6
- (2S)-2-[[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidC20H19NO6
- Ochratoxin C-d5C22H22ClNO6
- Ochratoxin A-D4C20H18ClNO6
- 3-rac-Ochratoxin B tert-Butyl Ester885679-87-8C24H27NO6
- Ochratoxin-N-acetyl-L-cysteine1610360-56-9C25H26N2O9S
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc115 chemicals
O=C(CCNc1ccccc1)c1ccc2ccccc2c115 chemicals
O=C(COc1ccccc1)Nc1ccc2c(c1)OCCO215 chemicals![Scaffold O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1](/scaffold/KDRIURZVJMYZNJ-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc113 chemicals
O=C(CCc1ccccc1)Nc1ccc2ccccc2c113 chemicals![Scaffold O=C(NCCc1cc2ccccc2[nH]c1=O)c1ccccc1](/scaffold/RLWQKKJAXJDFAZ-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1cc2ccccc2[nH]c1=O)c1ccccc112 chemicals
O=C(CCN1CCc2ccccc2C1)Nc1ccccc110 chemicals
O=C(CSc1ccc2ccccc2n1)Nc1ccccc18 chemicals
O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1ccccc18 chemicals
O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc18 chemicals
O=C(NCCc1ccccc1)c1cc2ccccc2oc1=O7 chemicals
O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o17 chemicals