Summary

IMPPAT Phytochemical identifier: IMPHY005779

Phytochemical name: Cherimoline

Synonymous chemical names:
cherimoline

External chemical identifiers:
CID:20055814, ChEMBL:CHEMBL501061

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Chemical structure information

SMILES:
CCCC(CCC(CCC(C1CCC(O1)C1CCC(O1)C(CCCCCCCCCCCCCC1=CC(OC1=O)C)O)O)O)O

InChI:
InChI=1S/C37H66O8/c1-3-15-29(38)18-19-30(39)20-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)17-14-12-10-8-6-4-5-7-9-11-13-16-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3

InChIKey:
ILCBHLYWYXFKPH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCO5)CCCCO5)CCCCCCCCCCCCCCC=CCOC5=O)))C)))))))))))))))))O))))))))))O))))O))))O

Functional groups:
CC1=CCOC1=O, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC=C1CCCCCCCCCCCCCCC1CCC(C2CCCO2)O1

Scaffold Graph/Node level:
OC1OCCC1CCCCCCCCCCCCCCC1CCC(C2CCCO2)O1

Scaffold Graph level:
CC1CCCC1CCCCCCCCCCCCCCC1CCC(C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 1.87

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Chemical structure download