Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014399

Phytochemical name: Kanjone

Synonymous chemical names:
kanjone, Kanjone, kangone

External chemical identifiers:
CID:CID_12305449, SureChEMBL:SCHEMBL5463385

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Chemical structure information

SMILES:
COc1cc2c(=O)cc(oc2c2c1occ2)c1ccccc1

InChI:
InChI=1S/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3

InChIKey:
OVAZJVLXWGEKHQ-UHFFFAOYSA-N

DeepSMILES:
COcccc=O)ccoc6cc%10occ5)))))))cccccc6

Functional groups:
cOC, coc, c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c1ccc1occc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.94

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Chemical structure download