Summary

IMPPAT Phytochemical identifier: IMPHY012421

Phytochemical name: Cyperine

Synonymous chemical names:
cyperine

External chemical identifiers:
CID:182142, ChEMBL:CHEMBL487020, ChEBI:4041, ZINC:ZINC000000899558, MolPort-001-739-762

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Chemical structure information

SMILES:
COc1cc(C)c(c(c1)O)Oc1cc(C)cc(c1)O

InChI:
InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3

InChIKey:
KXXZLMLLYMPYJE-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6)O))OcccC)ccc6)O

Functional groups:
cO, cOC, cOc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Oc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylethers

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Diphenyl ethers (DPEs)

NP Classifier Class: Fungal DPEs

NP-Likeness score: 0.743

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Chemical structure download