Summary

IMPPAT Phytochemical identifier: IMPHY000830

Phytochemical name: Antiarone F

Synonymous chemical names:
antiarone f

External chemical identifiers:
CID:480767, ChEMBL:CHEMBL1733607

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Chemical structure information

SMILES:
COc1ccc(c(c1OC)CC=C(C)C)C1CC(=O)c2c(O1)cc(cc2O)O

InChI:
InChI=1S/C22H24O6/c1-12(2)5-6-15-14(7-8-18(26-3)22(15)27-4)19-11-17(25)21-16(24)9-13(23)10-20(21)28-19/h5,7-10,19,23-24H,6,11H2,1-4H3

InChIKey:
AUNLUWJOQFJDDA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))CC=CC)C)))))CCC=O)ccO6)cccc6O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.139

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Chemical structure download