Summary

IMPPAT Phytochemical identifier: IMPHY013361

Phytochemical name: Flemingin E

Synonymous chemical names:
flemingin e

External chemical identifiers:
CID:42607550

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/C(=O)c1cc(O)c2c(c1O)C=CC(O2)(C)C/C=C/C(O)(C)C

InChI:
InChI=1S/C25H26O6/c1-24(2,30)12-4-13-25(3)14-11-18-22(29)19(15-21(28)23(18)31-25)20(27)10-7-16-5-8-17(26)9-6-16/h4-12,14-15,26,28-30H,13H2,1-3H3/b10-7+,12-4+

InChIKey:
SGHBNSQYQUYLSA-FFKWBEBTSA-N

DeepSMILES:
Occcccc6))/C=C/C=O)cccO)ccc6O))C=CCO6)C)C/C=C/CO)C)C

Functional groups:
C/C=C/C, CO, c/C=C/C(c)=O, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 2.374

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Chemical structure download