Summary

IMPPAT Phytochemical identifier: IMPHY006376

Phytochemical name: Hispidin

Synonymous chemical names:
hispidin, hispidine

External chemical identifiers:
CID:54685921, ChEMBL:CHEMBL1224512, ChEBI:36332, ZINC:ZINC000100031035, FDASRS:SSJ18CG55E, SureChEMBL:SCHEMBL246649, MolPort-003-941-572

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Chemical structure information

SMILES:
Oc1cc(/C=C/c2ccc(c(c2)O)O)oc(=O)c1

InChI:
InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+

InChIKey:
SGJNQVTUYXCBKH-HNQUOIGGSA-N

DeepSMILES:
Occc/C=C/cccccc6)O))O)))))))oc=O)c6

Functional groups:
c/C=C/c, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc(C=Cc2ccccc2)o1

Scaffold Graph/Node level:
OC1CCCC(CCC2CCCCC2)O1

Scaffold Graph level:
CC1CCCC(CCC2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Benzenediols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Styrylpyrones

NP Classifier Class: Kavalactones and derivatives

NP-Likeness score: 1.34

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Chemical structure download