Murcko scaffold
Ring system with 4 rings and 16 atoms
13 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 16
- Chemicals
- 13
- With full pages
- 0
Scaffold SMILES
c1ccc2c3c([nH]c2c1)C1CCCC(C3)N1
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.
![Murcko scaffold c1ccc2c3c([nH]c2c1)C1CCCC(C3)N1](/scaffold/MAAQFDOVMHVZRV-UHFFFAOYSA-N/structure.svg)
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 13 of 13 chemicals
![6,10-Imino-1H-cyclooct[b]indole-9-methanol, 6,7,8,9,10,11-hexahydro-5,12-dimethyl-8-(1-methylpropyl)-, [6S-[6I+/-,8I+/-(R*),9I+/-,10I+/-]]- chemical structure, C21H30N2O, CAS 6393-44-8](/s/AIIDFWJIHCIPKS-UHFFFAOYSA-N.svg)
6,10-Imino-1H-cyclooct[b]indole-9-methanol, 6,7,8,9,10,11-hexahydro-5,12-dimethyl-8-(1-methylpropyl)-, [6S-[6I+/-,8I+/-(R*),9I+/-,10I+/-]]-
CAS 6393-44-8C21H30N2O
Rauvoyunine A
CAS 1414883-81-0C21H28N2O3
![(1S,12S,13R,14R)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C21H28N2O3](/s/DOUBAGBLECQLMD-UNCJESFNSA-N.svg)
(1S,12S,13R,14R)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C21H28N2O3
Rauvotetraphylline A
CAS 1422506-49-7C20H26N2O3
![(1R,12R,14R)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C20H26N2O3](/s/MVGDPTFDPKCFEM-LRVANEGSSA-N.svg)
(1R,12R,14R)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C20H26N2O3
![(1S,12S,13S)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C20H26N2O3](/s/MVGDPTFDPKCFEM-JCJHDKADSA-N.svg)
(1S,12S,13S)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C20H26N2O3
![(1S,12S,14S)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C21H28N2O3](/s/DOUBAGBLECQLMD-SOLGTXILSA-N.svg)
(1S,12S,14S)-14-[(E)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C21H28N2O3
Rauvotetraphylline A
C20H26N2O3
![14-(1-Hydroxybut-2-en-2-yl)-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C21H28N2O3](/s/DOUBAGBLECQLMD-UHFFFAOYSA-N.svg)
14-(1-Hydroxybut-2-en-2-yl)-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C21H28N2O3
![14-[(Z)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C20H26N2O3](/s/MVGDPTFDPKCFEM-QDEBKDIKSA-N.svg)
14-[(Z)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C20H26N2O3
![14-[(Z)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C21H28N2O3](/s/DOUBAGBLECQLMD-UUILKARUSA-N.svg)
14-[(Z)-1-Hydroxybut-2-en-2-yl]-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C21H28N2O3
![6,10-Imino-5H-cyclooct[b]indole-8-ethanol, |A-ethylidene-6,7,8,9,10,11-hexahydro-2-hydroxy-9-(hydroxymethyl)-12-methyl-, (|AE,6S,8R,9S,10S)- chemical structure, C20H26N2O3](/s/MVGDPTFDPKCFEM-FDARSICLSA-N.svg)
6,10-Imino-5H-cyclooct[b]indole-8-ethanol, |A-ethylidene-6,7,8,9,10,11-hexahydro-2-hydroxy-9-(hydroxymethyl)-12-methyl-, (|AE,6S,8R,9S,10S)-
C20H26N2O3
![14-(1-Hydroxybut-2-en-2-yl)-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol chemical structure, C20H26N2O3](/s/MVGDPTFDPKCFEM-JYOAFUTRSA-N.svg)
14-(1-Hydroxybut-2-en-2-yl)-13-(hydroxymethyl)-16-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-7-ol
C20H26N2O3