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Murcko scaffold

1,2,3,3a,4,6a-Hexahydropentalene scaffold

29 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
8
Chemicals
29
With full pages
5
Scaffold SMILES

C1=CC2CCCC2C1

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.

Substructure search with this scaffoldOpen the 1,2,3,3a,4,6a-Hexahydropentalene page
Murcko scaffold C1=CC2CCCC2C1

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 29 of 29 chemicals

1,2,3,3a,4,6a-Hexahydropentalene chemical structure, C8H12, CAS 5549-09-7
1,2,3,3a,4,6a-Hexahydropentalene
CAS 5549-09-7C8H12
Methyl 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate chemical structure, C11H16O2, CAS 72635-33-7
Methyl 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate
CAS 72635-33-7C11H16O2
1,2,3,3a,4,6a-Hexahydropentalen-1-ol chemical structure, C8H12O, CAS 92334-78-6
1,2,3,3a,4,6a-Hexahydropentalen-1-ol
CAS 92334-78-6C8H12O
(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octenyl)-2-pentalenepentanoic acid chemical structure, C21H34O4, CAS 88911-35-7
(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octenyl)-2-pentalenepentanoic acid
CAS 88911-35-7C21H34O4
5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid chemical structure, C23H38O4, CAS 106413-54-1
5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
CAS 106413-54-1C23H38O4
Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenepentanoate chemical structure, C22H36O4, CAS 88931-51-5
Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenepentanoate
CAS 88931-51-5C22H36O4
9-O-Methanoprostaglandin I chemical structure, C21H34O4, CAS 99946-24-4
9-O-Methanoprostaglandin I
CAS 99946-24-4C21H34O4
Tei 1324 chemical structure, C24H40O4, CAS 106396-38-7
Tei 1324
CAS 106396-38-7C24H40O4
2-(2-((3aS,4R,5R,6aS)-3,3a,4,5,6,6a-Hexahydro-5-hydroxy-4-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenyl)ethoxy)acetic acid chemical structure, C20H32O5, CAS 106402-09-9
2-(2-((3aS,4R,5R,6aS)-3,3a,4,5,6,6a-Hexahydro-5-hydroxy-4-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenyl)ethoxy)acetic acid
CAS 106402-09-9C20H32O5
Tei 3356 chemical structure, C22H36O4, CAS 133906-74-8
Tei 3356
CAS 133906-74-8C22H36O4
5-Methyleneisocarbacyclin chemical structure, C22H34O4, CAS 109838-17-7
5-Methyleneisocarbacyclin
CAS 109838-17-7C22H34O4
17,20-Dimethylisocarbacyclin chemical structure, C22H36O4, CAS 122168-74-5
17,20-Dimethylisocarbacyclin
CAS 122168-74-5C22H36O4
KP 10614 chemical structure, C23H32O4, CAS 130273-99-3
KP 10614
CAS 130273-99-3C23H32O4
Methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate chemical structure, C12H18O3, CAS 192227-54-6
Methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate
CAS 192227-54-6C12H18O3
rac-(1R,3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalen-1-ol chemical structure, C8H12O, CAS 41164-15-2
rac-(1R,3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalen-1-ol
CAS 41164-15-2C8H12O
Bicyclo(3.3.0)oct-2-ene, trans- chemical structure, C8H12, CAS 53225-38-0
Bicyclo(3.3.0)oct-2-ene, trans-
CAS 53225-38-0C8H12
3A-Isopropyl-1,2,3,3a,4,6a-hexahydropentalene chemical structure, C11H18, CAS 344326-99-4
3A-Isopropyl-1,2,3,3a,4,6a-hexahydropentalene
CAS 344326-99-4C11H18
3-[(1,2,3,3a,4,6a-Hexahydropentalen-1-yl)oxy]-2,2-dimethylpropan-1-ol chemical structure, C13H22O2, CAS 92523-75-6
3-[(1,2,3,3a,4,6a-Hexahydropentalen-1-yl)oxy]-2,2-dimethylpropan-1-ol
CAS 92523-75-6C13H22O2
(3aR,6aS)-4-Methyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-ol chemical structure, C9H14O, CAS 88726-40-3
(3aR,6aS)-4-Methyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-ol
CAS 88726-40-3C9H14O
1,3-Diisocyanato-1,2,3,3a,4,6a-hexahydropentalene chemical structure, C10H10N2O2, CAS 60378-83-8
1,3-Diisocyanato-1,2,3,3a,4,6a-hexahydropentalene
CAS 60378-83-8C10H10N2O2
cis-Bicyclo(3.3.0)-2-octene chemical structure, C8H12, CAS 930-99-4
cis-Bicyclo(3.3.0)-2-octene
CAS 930-99-4C8H12
3,6-Dimethyl-1,2,3,3a,4,6a-hexahydropentalene chemical structure, C10H16, CAS 63960-09-8
3,6-Dimethyl-1,2,3,3a,4,6a-hexahydropentalene
CAS 63960-09-8C10H16
(1R,3aS,6aS)-1,3a,6a-Trimethyl-5,6-dihydro-4H-pentalene-1-carbonyl chloride chemical structure, C12H17ClO, CAS 148504-49-8
(1R,3aS,6aS)-1,3a,6a-Trimethyl-5,6-dihydro-4H-pentalene-1-carbonyl chloride
CAS 148504-49-8C12H17ClO
3,3a,4,5,6,6a-Hexahydropentalene-1-carboxylic acid chemical structure, C9H12O2, CAS 90673-63-5
3,3a,4,5,6,6a-Hexahydropentalene-1-carboxylic acid
CAS 90673-63-5C9H12O2