Summary

IMPPAT Phytochemical identifier: IMPHY008533

Phytochemical name: Flemiculosin

Synonymous chemical names:
flemiculosin

External chemical identifiers:
CID:5385082

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Chemical structure information

SMILES:
O=C(c1c(O)c2C=CC(Oc2c2c1OC(C)(C)C=C2)(C)C)/C=C/c1ccccc1

InChI:
InChI=1S/C25H24O4/c1-24(2)14-12-17-21(27)20(19(26)11-10-16-8-6-5-7-9-16)23-18(22(17)28-24)13-15-25(3,4)29-23/h5-15,27H,1-4H3/b11-10+

InChIKey:
NWYOEMWUFSHXQG-ZHACJKMWSA-N

DeepSMILES:
O=CccO)cC=CCOc6cc%10OCC)C)C=C6))))))))C)C)))))))/C=C/cccccc6

Functional groups:
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)c1cc2c(c3c1OCC=C3)OCC=C2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CC2CCCOC2C2CCCOC12

Scaffold Graph level:
CC(CCC1CCCCC1)C1CC2CCCCC2C2CCCCC12

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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: 1.722

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Chemical structure download