Summary

IMPPAT Phytochemical identifier: IMPHY009024

Phytochemical name: Butyrophenone, 5'-methyl-3',3'''-methylenebis(2',6'-dihydroxy-4'-methoxy-

Synonymous chemical names:
phloraspidinol

External chemical identifiers:
CID:15190

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Chemical structure information

SMILES:
CCCC(=O)c1c(O)cc(c(c1O)Cc1c(O)c(C(=O)CCC)c(c(c1OC)C)O)OC

InChI:
InChI=1S/C24H30O8/c1-6-8-15(25)19-17(27)11-18(31-4)13(22(19)29)10-14-23(30)20(16(26)9-7-2)21(28)12(3)24(14)32-5/h11,27-30H,6-10H2,1-5H3

InChIKey:
ABJZJBCLEZJOTC-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)ccO)cccc6O))CccO)cC=O)CCC))))ccc6OC)))C))O)))))))OC

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Dimeric phloroglucinols

NP-Likeness score: 1.28

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Chemical structure download