Murcko scaffold
Ring system with 7 rings and 37 atoms
14 chemicals on CompoundList share this ring system.
- Rings
- 7
- Scaffold atoms
- 37
- Chemicals
- 14
- With full pages
- 4
Scaffold SMILES
O=C(Cc1ccccc1)OCC1=CC2C3OC4(Cc5ccccc5)OC3CCC2(O4)C2C=CC(=O)C2C1
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 14 of 14 chemicals
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(alpha-methyl-4-(2-methylpropyl)benzeneacetate)
CAS 71381-97-0C41H48O7
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-butoxybenzeneacetate)
CAS 71381-95-8C40H46O8
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(3-chloro-4-(2-propenyloxy)benzeneacetate)
CAS 71381-96-9C39H41ClO8
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)
CAS 71407-32-4C39H42O10
Resiniferatoxin
CAS 57444-62-9C37H40O9
Iodoresiniferatoxin
CAS 535974-91-5C37H39IO9
![[(1R,2R,6R,10S,11R,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate chemical structure, C37H39IO9, CAS 335151-55-8](/s/IITCVPTZKLXSKQ-ZSVIJTOTSA-N.svg)
[(1R,2R,6R,10S,11R,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate
CAS 335151-55-8C37H39IO9
5-IodoresinIferatoxin
C37H39IO9
![[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate chemical structure, C37H39IO9, CAS 412271-87-5](/s/IITCVPTZKLXSKQ-WLDYDBGISA-N.svg)
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate
CAS 412271-87-5C37H39IO9
6/'-Iodoresiniferatoxin
C37H39IO9
Tinyatoxin
CAS 58821-95-7C36H38O8
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)benzeneacetate)
CAS 71381-93-6C38H40O9
![((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-Benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3b,6,6a,7,9a,10,11,11a-octahydro-3aH-2,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-5-yl)methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate chemical structure, C37H39IO9](/s/IITCVPTZKLXSKQ-YGJNQVTFSA-N.svg)
((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-Benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3b,6,6a,7,9a,10,11,11a-octahydro-3aH-2,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-5-yl)methyl 2-(4-hydroxy-2-iodo-5-methoxyphenyl)acetate
C37H39IO9
5-IodoresinIferatoxin
C37H39IO9