Summary

IMPPAT Phytochemical identifier: IMPHY005875

Phytochemical name: Cyclomorusin

Synonymous chemical names:
cyclomorusin, cyclomulberrochromene

External chemical identifiers:
CID:5481969, ChEMBL:CHEMBL1770313, ChEBI:132868, MolPort-039-052-727

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Chemical structure information

SMILES:
CC(=CC1Oc2cc(O)ccc2-c2c1c(=O)c1c(o2)c2C=CC(Oc2cc1O)(C)C)C

InChI:
InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3

InChIKey:
GDQXJMLXEYSICD-UHFFFAOYSA-N

DeepSMILES:
CC=CCOcccO)ccc6-cc%10c=O)cco6)cC=CCOc6cc%10O)))))C)C)))))))))))))))))))C

Functional groups:
CC=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)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.869

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Chemical structure download