CompoundList
Sign in
Murcko scaffold

Ring system with 8 rings and 40 atoms

29 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
40
Chemicals
29
With full pages
9
Scaffold SMILES

O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

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=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

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 29 of 29 chemicals

Ergotamine chemical structure, C33H35N5O5, CAS 113-15-5
Ergotamine
CAS 113-15-5C33H35N5O5
Ergotamine tartrate chemical structure, C70H76N10O16, CAS 379-79-3
Ergotamine tartrate
CAS 379-79-3C70H76N10O16
Ergocristine chemical structure, C35H39N5O5, CAS 511-08-0
Ergocristine
CAS 511-08-0C35H39N5O5
Ergotamine, tartrate chemical structure, C37H41N5O11, CAS 24381-56-4
Ergotamine, tartrate
CAS 24381-56-4C37H41N5O11
Metergotamine chemical structure, C34H37N5O5, CAS 22336-84-1
Metergotamine
CAS 22336-84-1C34H37N5O5
Ergotaminine chemical structure, C33H35N5O5, CAS 639-81-6
Ergotaminine
CAS 639-81-6C33H35N5O5
Caffeine mixture with ergotamine tartrate chemical structure, C45H51N9O12, CAS 69063-86-1
Caffeine mixture with ergotamine tartrate
CAS 69063-86-1C45H51N9O12
Ergotamine, monomethanesulfonate (1:1) (salt) chemical structure, C34H39N5O8S, CAS 6045-59-6
Ergotamine, monomethanesulfonate (1:1) (salt)
CAS 6045-59-6C34H39N5O8S
Sensibamine chemical structure, C66H70N10O10, CAS 8048-75-7
Sensibamine
CAS 8048-75-7C66H70N10O10
Ergocristine methanesulfonate chemical structure, C36H43N5O8S, CAS 57206-85-6
Ergocristine methanesulfonate
CAS 57206-85-6C36H43N5O8S
Ergocristinine methanesulfonate chemical structure, C36H43N5O8S, CAS 74137-64-7
Ergocristinine methanesulfonate
CAS 74137-64-7C36H43N5O8S
Ergotaminine methanesulfonate chemical structure, C34H39N5O8S, CAS 74137-68-1
Ergotaminine methanesulfonate
CAS 74137-68-1C34H39N5O8S
5'Alpha-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione maleate chemical structure, C37H39N5O9, CAS 61498-90-6
5'Alpha-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione maleate
CAS 61498-90-6C37H39N5O9
5'Alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione methanesulphonate chemical structure, C36H41N5O7S, CAS 57884-92-1
5'Alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione methanesulphonate
CAS 57884-92-1C36H41N5O7S
5'Alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate chemical structure, C35H40N5O8P, CAS 6424-36-8
5'Alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate
CAS 6424-36-8C35H40N5O8P
Ergocristinine chemical structure, C35H39N5O5, CAS 511-07-9
Ergocristinine
CAS 511-07-9C35H39N5O5
Caffeine mixture with camylofin, ergotamine, mecloxamine and propyphenazone chemical structure, C135H167Cl3N20O29-2, CAS 76847-51-3
Caffeine mixture with camylofin, ergotamine, mecloxamine and propyphenazone
CAS 76847-51-3C135H167Cl3N20O29-2
Migril chemical structure, C96H109ClN16O18, CAS 86498-65-9
Migril
CAS 86498-65-9C96H109ClN16O18
Ergostine chemical structure, C34H37N5O5, CAS 2854-38-8
Ergostine
CAS 2854-38-8C34H37N5O5
Ergocristine phosphate chemical structure, C35H42N5O9P, CAS 55852-81-8
Ergocristine phosphate
CAS 55852-81-8C35H42N5O9P
5-Oxo-L-proline, compound with 5'alpha-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1) chemical structure, C38H42N6O8, CAS 93857-22-8
5-Oxo-L-proline, compound with 5'alpha-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1)
CAS 93857-22-8C38H42N6O8
Belladonna alkaloids mixture with ergotamine tartrate and phenobarbital chemical structure, C66H76N8O17, CAS 57657-51-9
Belladonna alkaloids mixture with ergotamine tartrate and phenobarbital
CAS 57657-51-9C66H76N8O17
Methylergotamine hydrogen maleate chemical structure, C38H41N5O9, CAS 91000-52-1
Methylergotamine hydrogen maleate
CAS 91000-52-1C38H41N5O9
Ergocristine ethanesulfonate chemical structure, C37H45N5O8S, CAS 6055-56-7
Ergocristine ethanesulfonate
CAS 6055-56-7C37H45N5O8S