Summary

IMPPAT Phytochemical identifier: IMPHY006457

Phytochemical name: 6,12-Epoxy-elema-1,3-diene

Synonymous chemical names:
6,12-epoxyelema-1,3-diene,eremophil-1(10)

External chemical identifiers:
CID:6428360

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@@H]2[C@@H]([C@H]1C(=C)C)OC[C@H]2C

InChI:
InChI=1S/C15H24O/c1-6-15(5)8-7-12-11(4)9-16-14(12)13(15)10(2)3/h6,11-14H,1-2,7-9H2,3-5H3/t11-,12+,13-,14+,15-/m1/s1

InChIKey:
WHGDEUFMJMWQGK-QKGCVVFFSA-N

DeepSMILES:
C=C[C@]C)CC[C@@H][C@@H][C@H]6C=C)C)))OC[C@H]5C

Functional groups:
C=C(C)C, C=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OCCC2C1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.76

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Chemical structure download