Summary

IMPPAT Phytochemical identifier: IMPHY006923

Phytochemical name: Flavidinin

Synonymous chemical names:
flavidinin

External chemical identifiers:
CID:86025299, ZINC:ZINC000105931569, MolPort-039-338-580

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Chemical structure information

SMILES:
COc1cc2CCc3c4-c2c(c1)COc4cc(c3)O

InChI:
InChI=1S/C16H14O3/c1-18-13-5-10-3-2-9-4-12(17)7-14-16(9)15(10)11(6-13)8-19-14/h4-7,17H,2-3,8H2,1H3

InChIKey:
AWAUZUFYBCBHAO-UHFFFAOYSA-N

DeepSMILES:
COcccCCcc-c6cc%10)COc6ccc%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: 1.241

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Chemical structure download