Summary

IMPPAT Phytochemical identifier: IMPHY002976

Phytochemical name: Tinosporinone

Synonymous chemical names:
tinosporidine, tinosporinone

External chemical identifiers:
CID:42607646

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)C(=O)C(C(=O)c1ccc2c(c1)OCO2)C

InChI:
InChI=1S/C19H18O6/c1-11(18(20)12-4-7-15-17(8-12)25-10-24-15)19(21)14-6-5-13(22-2)9-16(14)23-3/h4-9,11H,10H2,1-3H3

InChIKey:
YDGCLJLINDCFAM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))C=O)CC=O)cccccc6)OCO5)))))))))C

Functional groups:
c1cOCO1, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC(=O)c1ccc2c(c1)OCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CC(O)C1CCC2OCOC2C1)C1CCCCC1

Scaffold Graph level:
CC(CC(C)C1CCC2CCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.005

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Chemical structure download