Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009710

Phytochemical name: Floribin

Synonymous chemical names:
Floribin, floribin

External chemical identifiers:
CID:CID_71440520

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Chemical structure information

SMILES:
COc1ccc2c(c1O)ccc(=O)o2

InChI:
InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3

InChIKey:
CIWXNUFLRXYBQV-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))ccc=O)o6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Hydroxycoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 0.819

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Chemical structure download