Summary

IMPPAT Phytochemical identifier: IMPHY006563

Phytochemical name: Dracorhodin

Synonymous chemical names:
dracorhodin

External chemical identifiers:
CID:69509, ChEMBL:CHEMBL486600, ZINC:ZINC000001761213, FDASRS:C4TSX5M53X

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Chemical structure information

SMILES:
COc1c2-c(oc(cc2)c2ccccc2)cc(=O)c1C

InChI:
InChI=1S/C17H14O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-10H,1-2H3

InChIKey:
UCZJPQIEFFTIEV-UHFFFAOYSA-N

DeepSMILES:
COcc-coccc6))cccccc6))))))))cc=O)c6C

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccc(-c3ccccc3)oc-2c1

Scaffold Graph/Node level:
OC1CCC2CCC(C3CCCCC3)OC2C1

Scaffold Graph level:
CC1CCC2CCC(C3CCCCC3)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.424

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Chemical structure download