Summary

IMPPAT Phytochemical identifier: IMPHY013360

Phytochemical name: Flemiwallichin F

Synonymous chemical names:
flemiwallichin f

External chemical identifiers:
CID:42607549

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Chemical structure information

SMILES:
O=C(c1cc(O)c2c(c1O)C=CC(O2)(C)C/C=C/C(O)(C)C)/C=C/c1ccccc1

InChI:
InChI=1S/C25H26O5/c1-24(2,29)13-7-14-25(3)15-12-18-22(28)19(16-21(27)23(18)30-25)20(26)11-10-17-8-5-4-6-9-17/h4-13,15-16,27-29H,14H2,1-3H3/b11-10+,13-7+

InChIKey:
HBWFDGZENPTKTM-DTICODAZSA-N

DeepSMILES:
O=CcccO)ccc6O))C=CCO6)C)C/C=C/CO)C)C)))))))))))))/C=C/cccccc6

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: 2.296

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Chemical structure download