Summary

IMPPAT Phytochemical identifier: IMPHY000823

Phytochemical name: Antiarone H

Synonymous chemical names:
antiarone h

External chemical identifiers:
CID:480773

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Chemical structure information

SMILES:
COc1ccc(c(c1O)CC=C(C)C)C1CC(=O)c2c(O1)cc(c(c2O)CC=C(C)C)O

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

InChIKey:
HHUBHYQGRICPOK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))CC=CC)C)))))CCC=O)ccO6)cccc6O))CC=CC)C)))))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: 1.959

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Chemical structure download