Summary

IMPPAT Phytochemical identifier: IMPHY010242

Phytochemical name: (2S)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one

Synonymous chemical names:
artoflavanone

External chemical identifiers:
CID:90473423, ZINC:ZINC000014648306

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Chemical structure information

SMILES:
COc1cc2O[C@@H](CC(=O)c2c(c1CC=C(C)C)O)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C24H28O7/c1-13(2)7-8-15-18(27-3)12-19-22(23(15)26)16(25)11-17(31-19)14-9-20(28-4)24(30-6)21(10-14)29-5/h7,9-10,12,17,26H,8,11H2,1-6H3/t17-/m0/s1

InChIKey:
ZRRIYQXQQBEZOK-KRWDZBQOSA-N

DeepSMILES:
COcccO[C@@H]CC=O)c6cc%10CC=CC)C)))))O)))))cccOC))ccc6)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: 1.796

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Chemical structure download