Summary

IMPPAT Phytochemical identifier: IMPHY001660

Phytochemical name: Atalantoflavone

Synonymous chemical names:
atalantoflavone

External chemical identifiers:
CID:14162621, ChEMBL:CHEMBL465808, ChEBI:175275, ZINC:ZINC000013373993, MolPort-039-141-800

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)c1C=CC(Oc1cc2O)(C)C

InChI:
InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3

InChIKey:
YEUHAZULDUVZLA-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cC=CCOc6cc%10O)))))C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.292

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Chemical structure download