Murcko scaffold
Ring system with 3 rings and 13 atoms
18 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 13
- Chemicals
- 18
- With full pages
- 3
Scaffold SMILES
C1CCC2C(C1)CCC1CCCC12
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 18 of 18 chemicals
4-Methyl-2,3-secocholestane-2,3-diol
CAS 95237-33-5C28H52O2
4-Methyl-4,5-secocholestane
CAS 140183-68-2C28H52
1-(7-(2-Hydroxyethyl)dodecahydro-3a-methyl-1H-benz(e)inden-3-yl)ethanone
CAS 145551-68-4C18H30O2
4,5-Secocholestane
CAS 32854-50-5C27H50
![(3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-Hydroxypropyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-3,7-diol chemical structure, C18H32O3, CAS 35144-86-6](/s/ACUPKQHIFDBMOE-TTYRWSMDSA-N.svg)
(3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-Hydroxypropyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-3,7-diol
CAS 35144-86-6C18H32O3
![6-(3-Hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-7-ol chemical structure, C26H48O2, CAS 6242-19-9](/s/XZLIIZIUJOQWSF-UHFFFAOYSA-N.svg)
6-(3-Hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-7-ol
CAS 6242-19-9C26H48O2
2,3-Secocholestan-2,3-dioic acid
CAS 1178-00-3C27H46O4
2,3-Secocholestane-2,3-diol
CAS 14124-56-2C27H50O2
Dammarenolic acid
CAS 34336-09-9C30H50O3
Arabidiol
CAS 845796-91-0C30H52O2
4,5-Secodihydrotestosterone
CAS 76760-84-4C19H32O2
1,2-Seco-A-bis(norandrostan-17-ol)acetate
CAS 40401-16-9C19H32O2
Pubchem_57347487
C30H50O3
![3-(3a,6,7-Trimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid chemical structure, C19H32O2, CAS 26604-66-0](/s/ARTRETDHLCIPAO-UHFFFAOYSA-N.svg)
3-(3a,6,7-Trimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
CAS 26604-66-0C19H32O2
![Methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate chemical structure, C31H52O3, CAS 56393-87-4](/s/RFAOSYMVZBUVLO-FHFGISFWSA-N.svg)
Methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
CAS 56393-87-4C31H52O3
Orb1991718
C30H50O3
![2,2'-[(3S,3aS,5aS,6S,7S,9aR,9bS)-3-Acetyl-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-6,7-diyl]diacetic acid chemical structure, C21H32O5, CAS 26654-59-1](/s/ULIZXBWCTQWEMU-RQYHSARZSA-N.svg)
2,2'-[(3S,3aS,5aS,6S,7S,9aR,9bS)-3-Acetyl-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-6,7-diyl]diacetic acid
CAS 26654-59-1C21H32O5
(3S,3aS,5aS,9aS,9bS)-Dodecahydro-3a,6,6,9a-tetramethyl-3-((5R)-1,5,9-trimethyldecyl)-1H-benz(e)indene
CAS 81575-65-7C30H56
Related scaffolds
Same ring framework with different atoms or bond orders
O=c1oc2ccccc2c2c1CCC239 chemicals
C1=CC2c3ccccc3NCC2C122 chemicals
c1ccc2c(c1)ccc1occc1217 chemicals![Scaffold c1ccc2c(c1)ncc1nc[nH]c12](/scaffold/ITIRVXDSMXFTPW-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ncc1nc[nH]c1216 chemicals![Scaffold c1ccc2c(c1)ccc1cc[nH]c12](/scaffold/HIYWOHBEPVGIQN-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ccc1cc[nH]c1213 chemicals
O=c1ccc2ccc3occc3c2o113 chemicals![Scaffold O=c1[nH]c2nncn2c2ccccc12](/scaffold/LTJCKJVQPRZVDG-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2nncn2c2ccccc1212 chemicals
c1ccc2c(c1)ccc1ccoc1210 chemicals![Scaffold O=c1[nH]c2n[nH]c(=S)n2c2ccccc12](/scaffold/FXVXSBUAKIHKJP-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2n[nH]c(=S)n2c2ccccc129 chemicals
c1ccc2c3c(cnc2c1)CCO39 chemicals
C1=Nc2ccc3ccccc3c2C19 chemicals
c1ccc2c(c1)ccn1cccc218 chemicals