Summary

IMPPAT Phytochemical identifier: IMPHY009215

Phytochemical name: Phloraspine

Synonymous chemical names:
phloraspin

External chemical identifiers:
CID:15668

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Chemical structure information

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

InChI:
InChI=1S/C23H28O8/c1-5-7-14(24)18-16(26)10-17(31-4)12(22(18)29)9-13-20(27)11(3)21(28)19(23(13)30)15(25)8-6-2/h10,26-30H,5-9H2,1-4H3

InChIKey:
ZMGUIBLJRFUNEX-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)ccO)cccc6O))CccO)cC)ccc6O))C=O)CCC)))))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: 1.258

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Chemical structure download