Murcko scaffold
Ring system with 7 rings and 24 atoms
22 chemicals on CompoundList share this ring system.
- Rings
- 7
- Scaffold atoms
- 24
- Chemicals
- 22
- With full pages
- 0
Scaffold SMILES
O=C1c2cc3c(cc2OC24C5COC2C(=O)C(C5)CC14)OCC=C3
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 22 of 22 chemicals
![2-Butenal, 4-[6-ethoxy-3a,4,5,6,6a,7-hexahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl- chemical structure, C35H42O8, CAS 55221-73-3](/s/IKFKEJSONUWRCD-UHFFFAOYSA-N.svg)
2-Butenal, 4-[6-ethoxy-3a,4,5,6,6a,7-hexahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-
CAS 55221-73-3C35H42O8
Moreollic acid
CAS 173792-68-2C34H40O9
Dihydroisomorellin
CAS 1064-70-6C33H38O7
Orb2893462
CAS 1458018-35-3C33H38O9
Orb2893512
CAS 1240792-57-7C34H40O9
9R-10alpha-Hydroxyepigambogic acid
CAS 1097882-33-1C38H46O9
Gambogoic acid A
CAS 887923-49-1C39H48O9
Gambogoic acid B
CAS 887923-50-4C40H50O9
Orb1941534
C38H46O9
10alpha-Hydroxyepigambogic acid
C38H46O9
9R-10alpha-Hydroxyepigambogic acid
C38H46O9
9S-10alpha-Hydroxyepigambogic acid
CAS 1164201-85-7C38H46O9
Orb1990537
C38H46O9
9R-10alpha-Hydroxyepigambogic acid
C38H46O9
9S-10alpha-Hydroxyepigambogic acid(C2-S)
C38H46O9
9S-10alpha-Hydroxyepigambogic acid(C2-R)
CAS 1002739-55-0C38H46O9
![(E)-4-[(2S,8R,15S,16S,17S)-16-Ethoxy-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid chemical structure, C40H50O9](/s/WMAGOAMNTBBBCL-BOYNXPDDSA-N.svg)
(E)-4-[(2S,8R,15S,16S,17S)-16-Ethoxy-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
C40H50O9
8,8a-Dihydro-8-hydroxygambogic acid
CAS 1097882-30-8C38H46O9
9R-10alpha-Hydroxyepigambogic acid
C38H46O9
![(E)-4-[(2S,8R,15S,16S,17S)-12-Hydroxy-16-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid chemical structure, C39H48O9](/s/WRIWCDIPAFGNEY-DNLDWJPRSA-N.svg)
(E)-4-[(2S,8R,15S,16S,17S)-12-Hydroxy-16-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
C39H48O9
Gambogic acid A
CAS 1592842-93-7C39H48O10
9R-10alpha-Hydroxyepigambogic acid
C38H46O9
Related scaffolds
Same ring framework with different atoms or bond orders
