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Murcko scaffold

Ring system with 4 rings and 19 atoms

15 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
15
With full pages
10
Scaffold SMILES

O=c1ccc2c3c(c4c(c2o1)CCCO4)C=CCO3

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=c1ccc2c3c(c4c(c2o1)CCCO4)C=CCO3

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

(+)-Calanolide A chemical structure, C22H26O5, CAS 142632-32-4
(+)-Calanolide A
CAS 142632-32-4C22H26O5
(10R,11S,12R)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one chemical structure, C22H26O5, CAS 142632-33-5
(10R,11S,12R)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one
CAS 142632-33-5C22H26O5
Calanolide F chemical structure, C22H26O5, CAS 179605-72-2
Calanolide F
CAS 179605-72-2C22H26O5
Cordatolide A chemical structure, C20H22O5, CAS 98449-39-9
Cordatolide A
CAS 98449-39-9C20H22O5
(-)-Calanolide A chemical structure, C22H26O5, CAS 163661-45-8
(-)-Calanolide A
CAS 163661-45-8C22H26O5
12-Acetoxycalanolide A chemical structure, C24H28O6, CAS 142566-59-4
12-Acetoxycalanolide A
CAS 142566-59-4C24H28O6
12-Methoxycalanolide A chemical structure, C23H28O5, CAS 142566-60-7
12-Methoxycalanolide A
CAS 142566-60-7C23H28O5
12-Methoxycalanolide B chemical structure, C23H28O5, CAS 142632-34-6
12-Methoxycalanolide B
CAS 142632-34-6C23H28O5
Calanolide C chemical structure, C22H26O5, CAS 142632-35-7
Calanolide C
CAS 142632-35-7C22H26O5
Costatolide chemical structure, C22H26O5, CAS 909-14-8
Costatolide
CAS 909-14-8C22H26O5
12-Azidocalanolide B chemical structure, C22H25N3O4, CAS 183791-91-5
12-Azidocalanolide B
CAS 183791-91-5C22H25N3O4
(-)-12-Fluorocalanolide B chemical structure, C22H25FO4, CAS 183791-88-0
(-)-12-Fluorocalanolide B
CAS 183791-88-0C22H25FO4
12-Thiocalanolide B chemical structure, C22H26O4S, CAS 183791-90-4
12-Thiocalanolide B
CAS 183791-90-4C22H26O4S
Cordatolide B chemical structure, C20H22O5, CAS 98524-45-9
Cordatolide B
CAS 98524-45-9C20H22O5
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10alpha,11alpha,12beta)- chemical structure, C22H26O5, CAS 172925-84-7
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10alpha,11alpha,12beta)-
CAS 172925-84-7C22H26O5