Summary

IMPPAT Phytochemical identifier: IMPHY012506

Phytochemical name: Euchrenone b10

Synonymous chemical names:
euchrenone b10

External chemical identifiers:
CID:402594, ChEMBL:CHEMBL565072

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Chemical structure information

SMILES:
CC(=CCc1c2OC(Cc2c2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C(O)(C)C)C

InChI:
InChI=1S/C25H26O6/c1-13(2)5-10-16-21(27)20-22(28)18(14-6-8-15(26)9-7-14)12-30-24(20)17-11-19(25(3,4)29)31-23(16)17/h5-9,12,19,26-27,29H,10-11H2,1-4H3

InChIKey:
KQLMUJOKBRYEHR-UHFFFAOYSA-N

DeepSMILES:
CC=CCccOCCc5ccc9O))c=O)cco6))cccccc6))O)))))))))))CO)C)C))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2c3c(ccc12)OCC3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2C3CCOC3CCC12

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2C3CCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.486

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Chemical structure download