Summary

IMPPAT Phytochemical identifier: IMPHY002611

Phytochemical name: Racemoflavone

Synonymous chemical names:
racemoflavone, racemoflavone[8,8-dimethyl-5-hydroxy-2-(4'-hydroxy-3'-methoxyphenyl)-4h,8h-benzo-(1,2-b_3,4-b')dipyran-4-one]

External chemical identifiers:
CID:14162622

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Chemical structure information

SMILES:
COc1cc(ccc1O)c1cc(=O)c2c(o1)c1C=CC(Oc1cc2O)(C)C

InChI:
InChI=1S/C21H18O6/c1-21(2)7-6-12-17(27-21)10-15(24)19-14(23)9-16(26-20(12)19)11-4-5-13(22)18(8-11)25-3/h4-10,22,24H,1-3H3

InChIKey:
AGOMJPUUTGWSSH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))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: 2.184

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Chemical structure download