Summary

IMPPAT Phytochemical identifier: IMPHY014218

Phytochemical name: (1R,4S,5R)-1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octane

Synonymous chemical names:
2-oxabicyclo(3.2.1) octane-1.4-dimethyl-8-methylene

External chemical identifiers:
CID:11355587

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Chemical structure information

SMILES:
C[C@@H]1CO[C@]2(C(=C)[C@@H]1CC2)C

InChI:
InChI=1S/C10H16O/c1-7-6-11-10(3)5-4-9(7)8(10)2/h7,9H,2,4-6H2,1,3H3/t7-,9-,10-/m1/s1

InChIKey:
MYWZEIPXJWLRJT-SZEHBUNVSA-N

DeepSMILES:
C[C@@H]CO[C@]C=C)[C@@H]6CC5))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCOC1CC2

Scaffold Graph/Node level:
CC1C2CCOC1CC2

Scaffold Graph level:
CC1C2CCCC1CC2

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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: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.769

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Chemical structure download