Summary

IMPPAT Phytochemical identifier: IMPHY004843

Phytochemical name: Artonin N

Synonymous chemical names:
artonin n

External chemical identifiers:
CID:44258669

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(-c3c(O)c4C=CC(Oc4c(c3C(C1)C(=C)C)O)(C)C)o2)C

InChI:
InChI=1S/C30H30O7/c1-13(2)7-8-15-19(31)12-20-22(24(15)32)26(34)18-11-17(14(3)4)21-23(28(18)36-20)25(33)16-9-10-30(5,6)37-29(16)27(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3

InChIKey:
GJUZSGIVJPSFRG-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cc-ccO)cC=CCOc6cc%10CC%14)C=C)C))))O))))C)C)))))))o6)))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1cc3c(cc1CC2)OCC=C3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CC4CCCOC4CC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CC4CCCCC4CC3CCC12

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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: 2.912

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Chemical structure download