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Murcko scaffold

Ring system with 8 rings and 45 atoms

37 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
45
Chemicals
37
With full pages
4
Scaffold SMILES

O=C(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5CC(OC6CCCCO6)CCO5)CC4CCC3C1CC2

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(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5CC(OC6CCCCO6)CCO5)CC4CCC3C1CC2

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 37 of 37 chemicals

(+)-Matesaponin 1 chemical structure, C47H76O17
(+)-Matesaponin 1
C47H76O17
Momordin II (oleanolic acid) chemical structure, C47H74O18, CAS 95851-41-5
Momordin II (oleanolic acid)
CAS 95851-41-5C47H74O18
Guaiacin B chemical structure, C47H76O17, CAS 101021-02-7
Guaiacin B
CAS 101021-02-7C47H76O17
Anchucoside-7 chemical structure, C48H78O18, CAS 72811-81-5
Anchucoside-7
CAS 72811-81-5C48H78O18
Arvensoside A chemical structure, C48H78O18, CAS 110219-89-1
Arvensoside A
CAS 110219-89-1C48H78O18
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid chemical structure, C48H76O19
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
C48H76O19
Quinoasaponin B chemical structure, C47H76O18, CAS 116107-21-2
Quinoasaponin B
CAS 116107-21-2C47H76O18
Momordin IIc chemical structure, C47H74O18, CAS 96990-19-1
Momordin IIc
CAS 96990-19-1C47H74O18
2-O-Methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate chemical structure, C48H76O19, CAS 403652-08-4
2-O-Methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
CAS 403652-08-4C48H76O19
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-alpha-L-arabinopyranosyl-, methyl ester chemical structure, C48H76O18, CAS 95851-50-6
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-alpha-L-arabinopyranosyl-, methyl ester
CAS 95851-50-6C48H76O18
Quinoasaponin A chemical structure, C48H76O20, CAS 116107-23-4
Quinoasaponin A
CAS 116107-23-4C48H76O20
Olean-12-en-28-oic acid, 3-[(3-O-I(2)-D-glucopyranosyl-I(2)-D-xylopyranosyl)oxy]-23-hydroxy-, I(2)-D-glucopyranosyl ester, (3I(2),4I+/-)- chemical structure, C47H76O18, CAS 169397-84-6
Olean-12-en-28-oic acid, 3-[(3-O-I(2)-D-glucopyranosyl-I(2)-D-xylopyranosyl)oxy]-23-hydroxy-, I(2)-D-glucopyranosyl ester, (3I(2),4I+/-)-
CAS 169397-84-6C47H76O18
Cyaonoside B chemical structure, C48H76O18, CAS 51161-58-1
Cyaonoside B
CAS 51161-58-1C48H76O18
Ilekudinoside E chemical structure, C47H76O18, CAS 243635-66-7
Ilekudinoside E
CAS 243635-66-7C47H76O18
Calenduloside H chemical structure, C48H76O19, CAS 26020-29-1
Calenduloside H
CAS 26020-29-1C48H76O19
I(2)-D-Glucopyranosiduronic acid, (3I(2))-28-(I(2)-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-I(2)-D-galactopyranosyl-, methyl ester chemical structure, C49H78O19, CAS 155740-14-0
I(2)-D-Glucopyranosiduronic acid, (3I(2))-28-(I(2)-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-I(2)-D-galactopyranosyl-, methyl ester
CAS 155740-14-0C49H78O19
Orb1991565 chemical structure, C48H76O19
Orb1991565
C48H76O19
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-beta-D-glucopyranosyl- chemical structure, C48H76O19, CAS 107241-05-4
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-beta-D-glucopyranosyl-
CAS 107241-05-4C48H76O19
Gordonoside K chemical structure, C47H74O19, CAS 1293918-33-8
Gordonoside K
CAS 1293918-33-8C47H74O19
1-O-{3beta-[(3-O-beta-D-Galactopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-D-glucopyranose chemical structure, C48H76O19
1-O-{3beta-[(3-O-beta-D-Galactopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-D-glucopyranose
C48H76O19
Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)- chemical structure, C47H76O18, CAS 289649-54-3
Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-
CAS 289649-54-3C47H76O18
Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)- chemical structure, C47H76O19, CAS 289649-65-6
Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)-
CAS 289649-65-6C47H76O19
beta-D-Glucopyranosiduronic acid, (3beta,16beta)-28-(beta-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-beta-D-galactopyranosyl- chemical structure, C48H76O20, CAS 358732-32-8
beta-D-Glucopyranosiduronic acid, (3beta,16beta)-28-(beta-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl 3-O-beta-D-galactopyranosyl-
CAS 358732-32-8C48H76O20
Quinovic acid glycoside 3 chemical structure, C48H76O19, CAS 120462-55-7
Quinovic acid glycoside 3
CAS 120462-55-7C48H76O19