Summary

IMPPAT Phytochemical identifier: IMPHY001613

Phytochemical name: Flavidin

Synonymous chemical names:
flavidin

External chemical identifiers:
CID:158594, ChEBI:5072, ZINC:ZINC000000899129, SureChEMBL:SCHEMBL12073006

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Chemical structure information

SMILES:
Oc1cc2CCc3c4-c2c(c1)OCc4cc(c3)O

InChI:
InChI=1S/C15H12O3/c16-11-3-8-1-2-9-4-12(17)6-13-15(9)14(8)10(5-11)7-18-13/h3-6,16-17H,1-2,7H2

InChIKey:
QMOLHJKSZMURCV-UHFFFAOYSA-N

DeepSMILES:
OcccCCcc-c6cc%10)OCc6ccc%10)O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c3c(c1)COc1cccc(c1-3)CC2

Scaffold Graph/Node level:
C1CC2CCC3CCCC4OCC(C1)C2C34

Scaffold Graph level:
C1CC2CCC3CCCC4CCC(C1)C2C34

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.286

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Chemical structure download