Summary

IMPPAT Phytochemical identifier: IMPHY004936

Phytochemical name: Torachrysone

Synonymous chemical names:
torachrysone

External chemical identifiers:
CID:5321977, ChEMBL:CHEMBL2204398, ChEBI:81265, ZINC:ZINC000013307187, SureChEMBL:SCHEMBL932035, MolPort-028-599-891

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)cc(c(c2O)C(=O)C)C

InChI:
InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3

InChIKey:
BIJOPUWEMBBDEG-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)cccc6O))C=O)C)))C

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 1.209

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Chemical structure download