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Murcko scaffold

Ring system with 6 rings and 26 atoms

15 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
26
Chemicals
15
With full pages
2
Scaffold SMILES

O=C1C2=CC3(CCC2C2CC=C4CCCCC4C12)CC1NCCCC1O3

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 O=C1C2=CC3(CCC2C2CC=C4CCCCC4C12)CC1NCCCC1O3

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 15 of 15 chemicals

Jervine chemical structure, C27H39NO3, CAS 469-59-0
Jervine
CAS 469-59-0C27H39NO3
Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) chemical structure, C29H43NO5
Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)
C29H43NO5
3-Hydroxy-11-oxo-17,23-epoxyveratraman-28-carbaldehyde chemical structure, C28H39NO4, CAS 66409-98-1
3-Hydroxy-11-oxo-17,23-epoxyveratraman-28-carbaldehyde
CAS 66409-98-1C28H39NO4
N-Methyljervine methiodide chemical structure, C28H42INO3, CAS 66409-99-2
N-Methyljervine methiodide
CAS 66409-99-2C28H42INO3
N-Acetyljervine chemical structure, C29H41NO4, CAS 17009-03-9
N-Acetyljervine
CAS 17009-03-9C29H41NO4
N,O-Diacetyljervine chemical structure, C31H43NO5
N,O-Diacetyljervine
C31H43NO5
O-Acetyljervine chemical structure, C29H41NO4, CAS 14788-78-4
O-Acetyljervine
CAS 14788-78-4C29H41NO4
Verapatuline chemical structure, C29H41NO5, CAS 212968-58-6
Verapatuline
CAS 212968-58-6C29H41NO5
Methyl jervine-N-propionate chemical structure, C31H45NO5, CAS 132943-48-7
Methyl jervine-N-propionate
CAS 132943-48-7C31H45NO5
Diacetyljervine chemical structure, C31H43NO5, CAS 7622-06-2
Diacetyljervine
CAS 7622-06-2C31H43NO5
Jervine hydrochloride chemical structure, C27H40ClNO3, CAS 60326-37-6
Jervine hydrochloride
CAS 60326-37-6C27H40ClNO3
Acetic acid, 3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one chemical structure, C29H43NO5
Acetic acid, 3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
C29H43NO5
N-Methyljervine chemical structure, C28H41NO3, CAS 64552-25-6
N-Methyljervine
CAS 64552-25-6C28H41NO3
N-Formyljervine chemical structure, C28H39NO4
N-Formyljervine
C28H39NO4
Jervine acetate chemical structure, C29H43NO5, CAS 64047-51-4
Jervine acetate
CAS 64047-51-4C29H43NO5