Summary

IMPPAT Phytochemical identifier: IMPHY001678

Phytochemical name: Cycloartomunoxanthone

Synonymous chemical names:
cycloartomunoxanthone

External chemical identifiers:
CID:14841185, ChEBI:172684

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Chemical structure information

SMILES:
COc1cc(O)c2-c3oc4c5C=CC(Oc5cc(c4c(=O)c3CC3c2c1OC3(C)C)O)(C)C

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

InChIKey:
HKEMUQOOVFTSNA-UHFFFAOYSA-N

DeepSMILES:
COcccO)c-coccC=CCOc6ccc%10c=O)c%14CCc%18c%22OC5C)C))))))))))O)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3c4c(ccc13)OCC=C4)-c1cccc3c1C(CO3)C2

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2C1CC1COC3CCCC2C13

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C1CC1CCC3CCCC2C31

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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: 2.895

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Chemical structure download