Summary

IMPPAT Phytochemical identifier: IMPHY008269

Phytochemical name: Heteroflavanone B

Synonymous chemical names:
heteroflavanone b

External chemical identifiers:
CID:42608026, ChEBI:169821

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Chemical structure information

SMILES:
COc1cc(OC)cc(c1C1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2O)OC)OC

InChI:
InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3

InChIKey:
CQHDMUSZBYPHBO-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6CCC=O)ccO6)cCC=CC)C))))ccc6O)))OC))))))))))OC

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: 1.852

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Chemical structure download