Summary

IMPPAT Phytochemical identifier: IMPHY000754

Phytochemical name: 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one

Synonymous chemical names:
6,8-diprenylorobol

External chemical identifiers:
CID:487089

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Chemical structure information

SMILES:
CC(=CCc1c(O)c2C(=O)C(COc2c(c1O)CC=C(C)C)c1ccc(c(c1)O)O)C

InChI:
InChI=1S/C25H28O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-11,18,26-29H,8-9,12H2,1-4H3

InChIKey:
MUISDLZQMBDTJL-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cC=O)CCOc6cc%10O))CC=CC)C))))))))cccccc6)O))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

NP-Likeness score: 1.938

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Chemical structure download