Summary

IMPPAT Phytochemical identifier: IMPHY017655

Phytochemical name: 1,5,9-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

Synonymous chemical names:
cedroxyde

External chemical identifiers:
CID:6436727, SureChEMBL:SCHEMBL4615726

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Chemical structure information

SMILES:
C/C/1=CCCC2(C)OC2CC/C(=C/CC1)/C

InChI:
InChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+

InChIKey:
PAZWFUGWOAQBJJ-SWZPTJTJSA-N

DeepSMILES:
C/C=CCCCC)OC3CC/C=C/CC%13)))/C

Functional groups:
C/C=C(/C)C, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2OC2CCC=CCC1

Scaffold Graph/Node level:
C1CCCCCC2OC2CCCC1

Scaffold Graph level:
C1CCCCCC2CC2CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Cembrane diterpenoids

NP-Likeness score: 3.041

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Chemical structure download