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Murcko scaffold

Ring system with 4 rings and 19 atoms

21 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
21
With full pages
1
Scaffold SMILES

C=C1CCC2C1CCC1C3CCC(=O)C=C3CCC21

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 scaffold
Murcko scaffold C=C1CCC2C1CCC1C3CCC(=O)C=C3CCC21

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 21 of 21 chemicals

11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one chemical structure, C22H32O3, CAS 3386-04-7
11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one
CAS 3386-04-7C22H32O3
11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate chemical structure, C24H34O4, CAS 3386-05-8
11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate
CAS 3386-05-8C24H34O4
(11beta)-21-(Acetyloxy)-11-hydroxypregna-4,17(20)-dien-3-one chemical structure, C23H32O4, CAS 5327-59-3
(11beta)-21-(Acetyloxy)-11-hydroxypregna-4,17(20)-dien-3-one
CAS 5327-59-3C23H32O4
11,20-Dihydroxy-3-oxopregna-4,17(20)-dien-21-al chemical structure, C21H28O4, CAS 3247-38-9
11,20-Dihydroxy-3-oxopregna-4,17(20)-dien-21-al
CAS 3247-38-9C21H28O4
Diendiol chemical structure, C21H30O3, CAS 3494-53-9
Diendiol
CAS 3494-53-9C21H30O3
(2Z)-2-(10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetonitrile chemical structure, C21H27NO, CAS 31020-63-0
(2Z)-2-(10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetonitrile
CAS 31020-63-0C21H27NO
(2Z)-2-(11-Hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetaldehyde chemical structure, C21H28O3, CAS 23398-09-6
(2Z)-2-(11-Hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetaldehyde
CAS 23398-09-6C21H28O3
4,17(20)-Pregnadien-3-one 20-carboxaldehyde chemical structure, C22H30O2, CAS 50323-70-1
4,17(20)-Pregnadien-3-one 20-carboxaldehyde
CAS 50323-70-1C22H30O2
17-Methylene-4-androsten-3-one chemical structure, C20H28O, CAS 846-45-7
17-Methylene-4-androsten-3-one
CAS 846-45-7C20H28O
(11b,17Z)-11,20-Dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al chemical structure, C21H28O4, CAS 105562-13-8
(11b,17Z)-11,20-Dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
CAS 105562-13-8C21H28O4
(11B,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al chemical structure, C21H28O4, CAS 105562-12-7
(11B,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
CAS 105562-12-7C21H28O4
(17Z)-17-Ethylidene-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one chemical structure, C20H28O, CAS 60183-67-7
(17Z)-17-Ethylidene-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS 60183-67-7C20H28O
11-Beta,21-dihydroxy-6-alpha-methylpregna-4,17(20)-dien-3-one chemical structure, C22H32O3
11-Beta,21-dihydroxy-6-alpha-methylpregna-4,17(20)-dien-3-one
C22H32O3
Hmopd chemical structure, C22H32O2, CAS 104010-48-2
Hmopd
CAS 104010-48-2C22H32O2
(11beta)-11-(Acetyloxy)-20-hydroxy-3-oxo-pregna-4,17(20)-dien-21-al chemical structure, C23H30O5, CAS 1089670-72-3
(11beta)-11-(Acetyloxy)-20-hydroxy-3-oxo-pregna-4,17(20)-dien-21-al
CAS 1089670-72-3C23H30O5
[(17Z)-17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate chemical structure, C23H30O5
[(17Z)-17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
C23H30O5
(13a)-17-Methyleneandrost-4-en-3-one chemical structure, C20H28O, CAS 2000206-96-0
(13a)-17-Methyleneandrost-4-en-3-one
CAS 2000206-96-0C20H28O
Methyl 3-Oxopregna-4,17(20)-diene-20-carboxylate chemical structure, C22H30O3, CAS 61670-14-2
Methyl 3-Oxopregna-4,17(20)-diene-20-carboxylate
CAS 61670-14-2C22H30O3
(2E)-2-[(10R,13S)-10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid chemical structure, C22H30O3, CAS 61670-13-1
(2E)-2-[(10R,13S)-10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid
CAS 61670-13-1C22H30O3
[(8S,9S,10R,11S,13S,14S)-17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate chemical structure, C23H30O5
[(8S,9S,10R,11S,13S,14S)-17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
C23H30O5
[17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate chemical structure, C23H30O5
[17-(1-Hydroxy-2-oxoethylidene)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
C23H30O5