Summary

IMPPAT Phytochemical identifier: IMPHY016296

Phytochemical name: 7-Oxabicyclo[4.1.0]heptane, 2,2,6-trimethyl-1-(3-methyl-1,3-butadienyl)-5-methylene-

Synonymous chemical names:
2,2,6-trimethyl-1-(3-methyl-1,3-butadienyl)-5-methylene-7-oxabicyclo[4.1.0]heptane

External chemical identifiers:
CID:5363734

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Chemical structure information

SMILES:
CC(=C)/C=C/C12OC2(C)C(=C)CCC1(C)C

InChI:
InChI=1S/C15H22O/c1-11(2)7-10-15-13(4,5)9-8-12(3)14(15,6)16-15/h7,10H,1,3,8-9H2,2,4-6H3/b10-7+

InChIKey:
NBAVJXUTIGWFOQ-JXMROGBWSA-N

DeepSMILES:
CC=C)/C=C/COC3C)C=C)CCC7C)C

Functional groups:
C=C(C)/C=C/C1(C)OC1(C)C(=C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2OC12

Scaffold Graph/Node level:
CC1CCCC2OC12

Scaffold Graph level:
CC1CCCC2CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids, Sesquiterpenoids

NP Classifier Class: Apocarotenoids (β-), Cyclofarnesane sesquiterpenoids

NP-Likeness score: 2.766

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Chemical structure download