Summary

IMPPAT Phytochemical identifier: IMPHY001451

Phytochemical name: Artonin K

Synonymous chemical names:
artonin k

External chemical identifiers:
CID:15340661, ChEBI:175885

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1-c3c(O)cc(c4c3C(Cc1c2=O)C(O4)(C)C)O

InChI:
InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3

InChIKey:
NMKFZSNRHNHWLX-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)oc-ccO)cccc6CCc%10c%14=O))))CO5)C)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1cccc3c1C(CO3)C2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C1CC1COC3CCCC2C13

Scaffold Graph level:
CC1C2CCCCC2CC2C1CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.353

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Chemical structure download