Summary

IMPPAT Phytochemical identifier: IMPHY008051

Phytochemical name: Euchrenone-a7

Synonymous chemical names:
euchrenone a7

External chemical identifiers:
CID:10291003, ChEMBL:CHEMBL4245610, ChEBI:85169

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Chemical structure information

SMILES:
CC(=CCc1c(O)ccc2c1OC(CC2=O)c1ccc(cc1O)O)C

InChI:
InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3

InChIKey:
JJOUBYOHNYJCOU-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6OCCC6=O)))cccccc6O)))O)))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.249

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Chemical structure download