Summary

IMPPAT Phytochemical identifier: IMPHY008647

Phytochemical name: Macaflavone II

Synonymous chemical names:
macaflavone ii

External chemical identifiers:
CID:44258686, ZINC:ZINC000014584383

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Chemical structure information

SMILES:
COc1c(oc2c(c1=O)cc1c(c2CC=C(C)C)OC(C=C1)(C)C)c1ccc(c(c1)O)O

InChI:
InChI=1S/C26H26O6/c1-14(2)6-8-17-22-16(10-11-26(3,4)32-22)12-18-21(29)25(30-5)23(31-24(17)18)15-7-9-19(27)20(28)13-15/h6-7,9-13,27-28H,8H2,1-5H3

InChIKey:
TVRDYVMRUJAIJL-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cccc6CC=CC)C)))))OCC=C6))C)C)))))))))cccccc6)O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC3OCCCC3CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.274

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Chemical structure download