Summary

IMPPAT Phytochemical identifier: IMPHY008565

Phytochemical name: Flemistrictin E

Synonymous chemical names:
flemistrictin e

External chemical identifiers:
CID:42607515

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Chemical structure information

SMILES:
O=C(c1ccc(c2c1OC(C2)C(O)(C)C)O)/C=C/c1ccccc1

InChI:
InChI=1S/C20H20O4/c1-20(2,23)18-12-15-17(22)11-9-14(19(15)24-18)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+

InChIKey:
JPSQFLOGKYCBPN-CSKARUKUSA-N

DeepSMILES:
O=Ccccccc6OCC5)CO)C)C))))))O)))))/C=C/cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1cccc2c1OCC2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCC2CCOC21

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.713

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Chemical structure download