Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002032

Phytochemical name: Cyercene 1

Synonymous chemical names:
cyercene i

External chemical identifiers:
CID:CID_14844709, ZINC:ZINC000034383165

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Chemical structure information

SMILES:
C/C=C(/C=C/c1cc(OC)c(c(=O)o1)C)\C

InChI:
InChI=1S/C13H16O3/c1-5-9(2)6-7-11-8-12(15-4)10(3)13(14)16-11/h5-8H,1-4H3/b7-6+,9-5+

InChIKey:
LQSMAOQNHULBNK-CQCRHSALSA-N

DeepSMILES:
C/C=C/C=C/cccOC))cc=O)o6))C)))))))\C

Functional groups:
c/C=C/C(C)=C/C, cOC, c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccco1

Scaffold Graph/Node level:
OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 2-pyrone derivatives

NP-Likeness score: 1.611

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Chemical structure download