Summary

IMPPAT Phytochemical identifier: IMPHY002826

Phytochemical name: Antiarone C

Synonymous chemical names:
antiarone c

External chemical identifiers:
CID:14777670, ZINC:ZINC000034363843

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Chemical structure information

SMILES:
COc1ccc(c(c1O)CC=C(C)C)/C=C/C(=O)c1c(O)cc(c(c1O)CC=C(C)C)O

InChI:
InChI=1S/C26H30O6/c1-15(2)6-10-18-17(9-13-23(32-5)25(18)30)8-12-20(27)24-22(29)14-21(28)19(26(24)31)11-7-16(3)4/h6-9,12-14,28-31H,10-11H2,1-5H3/b12-8+

InChIKey:
JIEHHEXNOZHGGL-XYOKQWHBSA-N

DeepSMILES:
COcccccc6O))CC=CC)C)))))/C=C/C=O)ccO)cccc6O))CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.465

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Chemical structure download