Summary

IMPPAT Phytochemical identifier: IMPHY004781

Phytochemical name: Artonin L

Synonymous chemical names:
artonin l

External chemical identifiers:
CID:44258662, ChEBI:175165

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Chemical structure information

SMILES:
COc1cc(O)c2c3c1-c1oc4cc(OC)cc(c4c(=O)c1CC3C(O2)(C)C)O

InChI:
InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-15(17)28-20(10)18-14(27-4)8-13(24)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3

InChIKey:
LDQNIBPJKBVZEF-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6-cocccOC))ccc6c=O)c%10CC%14CO%17)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: 2.243

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Chemical structure download