Summary

IMPPAT Phytochemical identifier: IMPHY001627

Phytochemical name: Artomunoxanthone

Synonymous chemical names:
artomunoxanthone

External chemical identifiers:
CID:15725887

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Chemical structure information

SMILES:
COc1cc(O)c2-c3oc4c5C=CC(Oc5cc(c4c(=O)c3CC(c2c1O)C(=C)C)O)(C)C

InChI:
InChI=1S/C26H24O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-7,9-10,13,27-28,30H,1,8H2,2-5H3

InChIKey:
JBNMCXJOVKMBOP-UHFFFAOYSA-N

DeepSMILES:
COcccO)c-coccC=CCOc6ccc%10c=O)c%14CCc%18c%22O)))C=C)C)))))))O)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3c4c(ccc13)OCC=C4)-c1ccccc1CC2

Scaffold Graph/Node level:
OC1C2CCC3CCCCC3C2OC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C3CCCCC3CCC12

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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: 2.835

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Chemical structure download