Murcko scaffold
Ring system with 4 rings and 17 atoms
48 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 17
- Chemicals
- 48
- With full pages
- 6
Scaffold SMILES
C1=CCC2C(C1)CCC1C3CCCC3CCC21
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 48 chemicals
2-Hydroxymethyl-5-alpha-androst-2-en-17-beta-ol
CAS 566-53-0C20H32O2
17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
CAS 601-16-1C20H30O2
17beta-Hydroxy-5alpha-androst-2-ene-2-carbonitrile
CAS 1093-60-3C20H29NO
![(5S,8R,9S,10S,13S,14S,17S)-2,10,13,17-Tetramethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol chemical structure, C21H34O, CAS 2527-18-6](/s/JLHCRFDMFTUIMQ-OGNRNXDYSA-N.svg)
(5S,8R,9S,10S,13S,14S,17S)-2,10,13,17-Tetramethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CAS 2527-18-6C21H34O
Madol
CAS 3275-64-7C20H32O
3-Hydroxychol-2-en-24-oic acid
CAS 69941-28-2C24H38O3
Pregn-2-en-20-yn-17-ol, 17-acetate, (5alpha,17alpha)-
CAS 124-85-6C23H32O2
(5alpha,17beta)-3-Methyl-androst-2-en-17-ol
CAS 85639-55-0C20H32O
3-Acetyl-5alpha-androstan-17beta-ol
CAS 17006-89-2C21H32O2
5-alpha-Pregn-2-en-20-yn-17-beta-ol
CAS 3642-95-3C21H30O
![(5S,8R,9S,10S,13S,14S,17R)-17-Ethenyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol chemical structure, C21H32O, CAS 3663-07-8](/s/WCOUYCPNIMTPFX-OGNRNXDYSA-N.svg)
(5S,8R,9S,10S,13S,14S,17R)-17-Ethenyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CAS 3663-07-8C21H32O
5alpha-Pregn-2-en-20-one
CAS 969-72-2C21H32O
5alpha-Androst-2-en-17beta-ol
CAS 2639-53-4C19H30O
17-(Acetyloxy)androst-2-ene-2-carboxylic acid
CAS 1101-30-0C22H32O4
17-Propyl-5alpha-androst-2-en-17beta-ol
CAS 7148-38-1C22H36O
2-Methyl-5alpha-androst-2-en-17beta-ol acetate
CAS 974-99-2C22H34O2
![(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-octoxy-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol chemical structure, C27H46O2, CAS 1252-02-4](/s/QWVWSSMJOIVOQR-QFRXHQPMSA-N.svg)
(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-octoxy-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS 1252-02-4C27H46O2
17-Methyl-androst-2-ene-1,17-diol, (1alpha,5alpha,17beta)-
CAS 13974-36-2C20H32O2
Androst-2-ene-2-carbonitrile, 17-(acetyloxy)-, (5alpha,17beta)-
CAS 1431-84-1C22H31NO2
![(10,13-Dimethyl-17-prop-2-enyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate chemical structure, C24H36O2, CAS 4811-83-0](/s/ORIMLGKYXLWGDN-UHFFFAOYSA-N.svg)
(10,13-Dimethyl-17-prop-2-enyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate
CAS 4811-83-0C24H36O2
Androst-2-ene-16,17-diol
CAS 5764-10-3C19H30O2
Cholest-2-ene
CAS 15910-23-3C27H46
Androst-2-ene-3,17-diyl diacetate
CAS 981-64-6C23H34O4
17-Methylandrost-2-en-17-yl acetate
CAS 4424-41-3C22H34O2
- 3-Methoxycholest-2-ene-2-carbonitrile2981-42-2C29H47NO
- (24R)-Ethylcholest-2-eneC29H50
- Methyl 7a,12a-dihydroxy-5b-chol-2-enoate77731-10-3C25H40O4
- [(1S,5S,8S,9S,10S,13S,14S,17S)-1-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate5846-70-8C21H32O3
- 5xi,17alpha-Pregn-2-en-20-yn-17-yl acetate14340-08-0C23H32O2
- 5alpha-Androst-2-ene-1alpha,17beta-diol1229-06-7C19H30O2
- (1beta,5alpha,17beta)-Androst-2-ene-1,17-diol20112-26-9C19H30O2
- (8R,9R,10S,13S,14S)-2-Allyl-13-methyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol1105693-07-9C21H32O
- 2-Carboxy 3-hydroxy madol methyl ester-d5853904-67-3C22H34O4
- 17a-Methyl-androst-2-ene-17b-ol6699-63-4C20H32O
- 2-Methyl-5alpha-androst-2-en-17beta-ol2984-17-0C20H32O
- (1alpha,5alpha,17alpha)-1-Fluoroandrost-2-en-17-yl acetate14291-95-3C21H31FO2
- 5a-Androst-2-ene-2-carbonitrile, 17b-hydroxy-3-methoxy-(7CI,8CI)5742-50-7C21H31NO2
- [(5S,10S,13S,17S)-2-Acetyl-3-difluoroboranyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetateC23H33BF2O4
- Stigmast-2-ene69088-87-5C29H50
- 1-Fluoro-5alpha-androst-2-en-17beta-ol AcetateC21H31FO2
- (5beta)-Cholest-2-ene13901-19-4C27H46
- Testosterone impurity 5930785-84-3C19H30O
- 4,4-Dimethyl-5alpha-cholest-2-ene807-52-3C29H50
- 2-Cyano-17alpha-methyl-17beta-acetoxy-5alpha-androst-2-ene1101-60-6C23H33NO2
- 2-Methyl-5alpha-androst-2-en-17beta-ol-propionate2984-16-9C23H36O2
- [(5S,8S,9S,10S,13S,14S,17S)-1-Fluoro-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetateC21H31FO2
- 2-Acetyl-3-[(difluoroboranyl)oxy]-5alpha-androst-2-en-17beta-yl acetate6742-94-5C23H33BF2O4
- 17alpha-Methyl-5alpha-androst-2-ene-3,17beta-diol1173998-16-7C20H32O2
Related scaffolds
Same ring framework with different atoms or bond orders
C1CCC2C(C1)CCC1C3CCCC3CCC21315 chemicals
O=C1C=C2CCC3C4CCCC4CCC3C2CC1301 chemicals
C1=C2CCCCC2C2CCC3CCCC3C2C1193 chemicals
O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21183 chemicals
c1ccc2c(c1)CCC1C2CCC2CCCC21143 chemicals
O=C1CCC2C(CCC3C4CCCC4CCC23)C153 chemicals
O=C1CCC2C1CCC1c3ccccc3CCC1239 chemicals
C1CCC2C3=C(CCC2C1)C1CCCC1CC338 chemicals
O=C1CCC2C1CCC1C3CCCCC3CCC2132 chemicals
O=C1CCC2C1CCC1C3CCCCC3=CCC2130 chemicals
O=C1C=C2CCC3C4CCC(=O)C4CCC3C2CC129 chemicals
C1=C2C3CCCC3CCC2C2CCCCC2C125 chemicals