Summary

IMPPAT Phytochemical identifier: IMPHY014407

Phytochemical name: 8-Dimethylallyllisetin

Synonymous chemical names:
8-prenyllisetin

External chemical identifiers:
CID:44260101, ZINC:ZINC000014679158

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Chemical structure information

SMILES:
COc1cc2c(c(c1O)CC=C(C)C)oc1c2c(=O)c2c(o1)c(CC=C(C)C)c(cc2O)O

InChI:
InChI=1S/C26H26O7/c1-12(2)6-8-14-17(27)11-18(28)21-23(30)20-16-10-19(31-5)22(29)15(9-7-13(3)4)24(16)32-26(20)33-25(14)21/h6-7,10-11,27-29H,8-9H2,1-5H3

InChIKey:
GQRNMTDWOFXCTJ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))CC=CC)C)))))occ5c=O)cco6)cCC=CC)C))))ccc6O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2oc3ccccc3c12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2OC3CCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumaronochromones

NP-Likeness score: 1.896

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Chemical structure download