Summary

IMPPAT Phytochemical identifier: IMPHY013362

Phytochemical name: Flemingin F

Synonymous chemical names:
flemingin f

External chemical identifiers:
CID:42607551

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Chemical structure information

SMILES:
CC(=C)C(CCC1(C)C=Cc2c(O1)c(O)cc(c2O)C(=O)/C=C/c1ccc(cc1)O)O

InChI:
InChI=1S/C25H26O6/c1-15(2)20(27)11-13-25(3)12-10-18-23(30)19(14-22(29)24(18)31-25)21(28)9-6-16-4-7-17(26)8-5-16/h4-10,12,14,20,26-27,29-30H,1,11,13H2,2-3H3/b9-6+

InChIKey:
WVCACLYXUHSEMC-RMKNXTFCSA-N

DeepSMILES:
CC=C)CCCCC)C=CccO6)cO)ccc6O))C=O)/C=C/cccccc6))O))))))))))))))))))O

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: 2.53

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Chemical structure download