Summary

IMPPAT Phytochemical identifier: IMPHY003427

Phytochemical name: 5,7,2',4'-Tetrahydroxy-6-prenylisoflavanone

Synonymous chemical names:
diphysolone

External chemical identifiers:
CID:180589

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)C(=O)C(CO2)c1ccc(cc1O)O)C

InChI:
InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3

InChIKey:
AMCPULFLJZMXJI-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))C=O)CCO6))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=C1c2ccccc2OCC1c1ccccc1

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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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: Isoflavanones, Isoflavones

NP-Likeness score: 2.377

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Chemical structure download