Summary

IMPPAT Phytochemical identifier: IMPHY007986

Phytochemical name: Euchrenone b9

Synonymous chemical names:
euchrenone b9

External chemical identifiers:
CID:14704593

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Chemical structure information

SMILES:
CC(=C)C(Cc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c(co2)c1ccc(cc1)O)O

InChI:
InChI=1S/C25H24O6/c1-13(2)19(27)11-17-21(28)20-22(29)18(14-5-7-15(26)8-6-14)12-30-24(20)16-9-10-25(3,4)31-23(16)17/h5-10,12,19,26-28H,1,11H2,2-4H3

InChIKey:
KOYTWDRAYNCQMX-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCccOCC)C)C=Cc6ccc%10O))c=O)cco6))cccccc6))O)))))))))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2C3CCCCC3CCC12

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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: 2.636

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Chemical structure download