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Murcko scaffold

Ring system with 6 rings and 25 atoms

10 chemicals on CompoundList share this ring system.

Rings: 6
Scaffold atoms: 25
Chemicals: 10
With full pages: 4

Scaffold SMILES

C1=C2CCCCC2C2CCC3C4CC5(CCCCN5)OC4CC3C2C1

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 C1=C2CCCCC2C2CCC3C4CC5(CCCCN5)OC4CC3C2C1

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 10 of 10 chemicals

Npc147835 chemical structure, C27H43NO2, CAS 1415-77-6

CAS 1415-77-6C₂₇H₄₃NO₂

N-Acetylsolasodine chemical structure, C29H45NO3, CAS 58822-29-0

N-Acetylsolasodine

CAS 58822-29-0C₂₉H₄₅NO₃

Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- chemical structure, C29H45NO3, CAS 6159-99-5

Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-

CAS 6159-99-5C₂₉H₄₅NO₃

Solasodine N,O-diacetate chemical structure, C31H47NO4, CAS 4860-15-5

Solasodine N,O-diacetate

CAS 4860-15-5C₃₁H₄₇NO₄

Solasodine chemical structure, C27H43NO2, CAS 126-17-0

CAS 126-17-0C₂₇H₄₃NO₂

Tomatidenol chemical structure, C27H43NO2, CAS 546-40-7

CAS 546-40-7C₂₇H₄₃NO₂

1-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-16-Hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-1'-yl]ethanone chemical structure, C29H45NO3

1-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-16-Hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-1'-yl]ethanone

C₂₉H₄₅NO₃

(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol chemical structure, C27H43NO3, CAS 74131-93-4

(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol

CAS 74131-93-4C₂₇H₄₃NO₃

Solasodine hydrochloride chemical structure, C27H44ClNO2, CAS 6106-33-8

Solasodine hydrochloride

CAS 6106-33-8C₂₇H₄₄ClNO₂

(22alpha,25R)-28-Acetylspirosol-5-en-3beta-ol chemical structure, C29H45NO3

(22alpha,25R)-28-Acetylspirosol-5-en-3beta-ol

C₂₉H₄₅NO₃