Summary

IMPPAT Phytochemical identifier: IMPHY004461

Phytochemical name: Squamosamide

Synonymous chemical names:
squamosamide

External chemical identifiers:
CID:5321487, ChEMBL:CHEMBL4129283

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)/C(=Cc1ccc(c(c1)OC)O)/C(=O)NCCc1ccc(cc1)O

InChI:
InChI=1S/C26H27NO7/c1-32-22-13-17(6-9-21(22)29)12-20(18-14-23(33-2)25(30)24(15-18)34-3)26(31)27-11-10-16-4-7-19(28)8-5-16/h4-9,12-15,28-30H,10-11H2,1-3H3,(H,27,31)/b20-12+

InChIKey:
VEUGFVRUMOLGFJ-UDWIEESQSA-N

DeepSMILES:
COcccccc6O))OC))))/C=Ccccccc6)OC)))O))))))/C=O)NCCcccccc6))O

Functional groups:
c/C=C(c)C(=O)NC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCCc1ccccc1)C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(NCCC1CCCCC1)C(CC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)C(CC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acid amides

NP-Likeness score: 0.281

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Chemical structure download